data_2mk3_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 2mk3 _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 ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' GLU . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.417 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.673 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 24' ' ' THR . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.6 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' OG ' ' A' ' 62' ' ' SER . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.6 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' ARG . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 61.9 tp60 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 45' ' ' ASP . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 t-20 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.451 ' O ' ' OG ' ' A' ' 62' ' ' SER . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.6 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.0 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 62' ' ' SER . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' H ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.82 47.51 1.02 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt -62.37 -32.64 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 15' ' ' GLU . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.417 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.85 42.5 0.48 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -76.15 -36.61 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.673 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.27 44.19 0.43 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.79 -38.08 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.402 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.05 103.29 0.24 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -108.65 -17.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 24' ' ' THR . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.39 86.28 0.15 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt -96.0 -17.11 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 ' O ' ' OG1' ' A' ' 52' ' ' THR . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.71 59.42 0.27 Allowed Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt -79.18 -28.42 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.18 78.7 0.08 OUTLIER Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt -98.04 -26.48 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.6 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' OG ' ' A' ' 62' ' ' SER . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 49.38 0.3 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -78.66 -33.24 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.6 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' ARG . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.401 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.508 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' CG ' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.4 28.43 0.62 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.36 -47.25 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.529 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 61.9 tp60 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.34 46.0 0.41 Allowed Glycine 0 C--N 1.335 0.512 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt -76.04 -31.7 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 45' ' ' ASP . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.24 43.48 0.33 Allowed Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt -74.36 -37.31 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' O ' ' OG1' ' A' ' 52' ' ' THR . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 t-20 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.43 44.56 0.42 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.32 -29.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' CD1' ' N ' ' A' ' 44' ' ' TRP . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.451 ' O ' ' OG ' ' A' ' 62' ' ' SER . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.21 39.94 0.62 Allowed Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.59 -32.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' NE2' ' A' ' 17' ' ' GLN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.6 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.29 42.12 1.11 Allowed Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt -76.2 -34.13 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.19 37.37 0.3 Allowed Glycine 0 C--N 1.336 0.555 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.55 -30.68 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.0 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 62' ' ' SER . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.22 44.65 1.46 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt -82.91 -18.97 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 15' ' ' GLU . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.68 45.32 0.41 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.88 -37.59 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.794 -0.446 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.99 38.37 0.85 Allowed Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -70.09 -33.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.43 53.44 0.31 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.31 -32.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.4 51.19 0.26 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt -78.76 -26.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' H ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 48' ' ' ILE . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 48' ' ' ILE . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 48' ' ' ILE . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 9.5 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 21' ' ' LEU . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 24' ' ' THR . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' O ' HG23 ' A' ' 48' ' ' ILE . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.629 ' O ' HG23 ' A' ' 48' ' ' ILE . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 9.4 tp-100 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' ILE . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' MET . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 6.5 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.653 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 15.7 t30 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 48' ' ' ILE . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 9.3 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' ILE . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' MET . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 7.4 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.713 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 12.1 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 7.3 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.654 ' O ' HG23 ' A' ' 48' ' ' ILE . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.82 47.51 1.02 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt -62.37 -32.64 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.85 42.5 0.48 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -76.15 -36.61 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 48' ' ' ILE . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.27 44.19 0.43 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.79 -38.08 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 48' ' ' ILE . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.05 103.29 0.24 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -108.65 -17.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.39 86.28 0.15 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt -96.0 -17.11 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 48' ' ' ILE . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.71 59.42 0.27 Allowed Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt -79.18 -28.42 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.18 78.7 0.08 OUTLIER Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt -98.04 -26.48 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 9.5 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 21' ' ' LEU . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 24' ' ' THR . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' O ' HG23 ' A' ' 48' ' ' ILE . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 49.38 0.3 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -78.66 -33.24 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.629 ' O ' HG23 ' A' ' 48' ' ' ILE . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.4 28.43 0.62 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.36 -47.25 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 9.4 tp-100 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.34 46.0 0.41 Allowed Glycine 0 C--N 1.335 0.512 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt -76.04 -31.7 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' ILE . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' MET . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.24 43.48 0.33 Allowed Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt -74.36 -37.31 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 6.5 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.653 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 15.7 t30 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.43 44.56 0.42 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.32 -29.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 48' ' ' ILE . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.21 39.94 0.62 Allowed Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.59 -32.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 9.3 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' ILE . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' MET . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.29 42.12 1.11 Allowed Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt -76.2 -34.13 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.19 37.37 0.3 Allowed Glycine 0 C--N 1.336 0.555 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.55 -30.68 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 7.4 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.22 44.65 1.46 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt -82.91 -18.97 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.68 45.32 0.41 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.88 -37.59 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 12.1 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.794 -0.446 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.99 38.37 0.85 Allowed Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -70.09 -33.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.43 53.44 0.31 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.31 -32.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 7.3 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.4 51.19 0.26 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt -78.76 -26.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.654 ' O ' HG23 ' A' ' 48' ' ' ILE . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 48' ' ' ILE . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 48' ' ' ILE . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 48' ' ' ILE . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt . . . . . 0 CA--C 1.518 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.6 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 21' ' ' LEU . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 24' ' ' THR . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' O ' HG23 ' A' ' 48' ' ' ILE . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.629 ' O ' HG23 ' A' ' 48' ' ' ILE . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 61.9 tp60 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' ILE . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' MET . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.653 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 t-20 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 48' ' ' ILE . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 2.6 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' ILE . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' MET . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 CA--C 1.518 -0.257 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.0 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.713 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.654 ' O ' HG23 ' A' ' 48' ' ' ILE . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.82 47.51 1.02 Allowed Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mt -62.37 -32.64 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.167 0.508 . . . . 0.0 110.389 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.77 -43.91 18.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.343 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -45.85 -67.82 0.25 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.911 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -52.95 -43.37 66.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.63 -177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -54.22 -43.57 70.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -79.66 -29.96 41.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -76.04 -28.45 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.712 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.89 -39.76 90.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.598 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -79.26 -30.17 42.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.799 -178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -81.59 -38.42 26.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.272 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.77 -44.53 19.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.19 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 62.0 mt -46.04 -63.48 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.009 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -30.17 67.29 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.424 -176.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.72 40.93 0.07 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.033 -178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.5 pt20 -157.87 10.21 0.18 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.987 177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.59 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.635 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.22 -40.8 21.14 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.331 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.12 -21.45 66.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.982 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -64.12 -39.06 93.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -86.82 -35.08 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.419 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -69.12 -34.31 74.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.0 m -69.19 -41.19 77.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.625 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.5 t -73.51 -33.3 39.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.101 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -84.61 -26.26 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.364 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -70.1 -32.88 69.25 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -73.64 -32.4 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.022 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -74.97 -56.81 4.36 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.81 -20.0 60.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.576 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.6 tp -85.78 -56.13 3.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.014 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -52.16 -40.93 62.13 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.696 -178.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.91 -8.58 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.863 0.363 . . . . 0.0 110.503 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -64.83 -20.57 66.47 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.7 p -83.17 162.31 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.584 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.43 42.02 2.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.41 156.79 43.55 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -127.89 73.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.039 0.447 . . . . 0.0 110.529 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.33 161.75 20.62 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.11 123.57 6.25 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -117.06 -20.07 9.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 120.496 0.189 . . . . 0.0 110.691 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 15.4 tpp -54.75 -47.22 74.11 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.319 0.58 . . . . 0.0 110.867 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.5 mm-40 -42.29 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 60.0 m95 -53.88 -10.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.215 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 42' ' ' MET . 40.0 m-20 -80.72 -8.61 59.71 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.995 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.87 -48.21 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.41 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.55 -21.05 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.718 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.39 -41.09 25.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.263 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.76 64.82 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.41 -4.14 58.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.5 13.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.32 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.06 -23.74 24.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.81 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.17 -30.94 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -19.97 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.931 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -78.96 -30.27 44.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.738 0.274 . . . . 0.0 111.738 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 m -81.14 -29.29 34.79 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.013 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -73.51 -33.78 64.93 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.329 -0.549 . . . . 0.0 110.598 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mt -80.23 -63.96 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.838 0.351 . . . . 0.0 111.371 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -52.51 -46.15 66.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.549 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -70.41 -28.48 65.1 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.466 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.4 m -80.39 -46.29 16.26 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -83.55 100.26 10.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.163 0.506 . . . . 0.0 110.363 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -99.07 143.94 28.78 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.359 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -124.02 144.94 49.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.841 0.353 . . . . 0.0 110.468 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -158.81 -73.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.422 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -146.92 91.7 2.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.429 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.532 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.85 42.5 0.48 Allowed Glycine 0 C--N 1.335 0.478 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -76.15 -36.61 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 110.275 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -86.37 -49.18 15.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.587 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -44.98 -56.97 4.13 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.574 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -54.88 -45.45 74.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.6 -35.0 75.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.979 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -83.45 -27.52 29.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -80.99 -26.63 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.601 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.41 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -74.37 -37.78 63.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.794 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -75.41 -39.9 58.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.3 -33.26 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 65.7 mt -57.57 -64.5 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.892 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.38 -27.57 62.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.519 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 37.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.38 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -151.78 11.07 0.57 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.281 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -21.14 65.51 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -41.94 19.66 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.326 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.43 -23.82 64.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.037 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -44.71 96.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.732 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.09 -37.84 18.41 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.544 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.83 -39.95 95.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.729 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 m -63.78 -44.29 93.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.78 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.8 -37.8 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.001 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -81.4 -24.06 37.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.822 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.47 -37.94 62.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.1 -27.09 28.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.55 . . . . 0.0 111.151 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -75.29 -52.63 10.4 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -67.38 -19.86 65.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.896 0.379 . . . . 0.0 110.763 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 44.3 tp -77.99 -62.76 1.57 Allowed 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.18 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.01 -41.51 34.8 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.782 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.15 -8.54 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttm180 -70.78 -19.23 62.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.6 p -87.45 151.73 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.8 45.12 3.36 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.41 149.38 26.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -125.66 67.1 1.17 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.962 0.41 . . . . 0.0 110.486 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.66 170.71 13.65 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.579 -1.009 . . . . 0.0 110.579 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.82 122.06 5.22 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -121.12 -17.89 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.512 0.196 . . . . 0.0 110.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.592 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.3 tpp -65.41 -48.94 71.1 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 121.724 0.774 . . . . 0.0 110.598 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 42' ' ' MET . 1.9 mm-40 -31.87 -58.1 0.29 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 -175.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 48' ' ' ILE . 28.6 m95 -78.15 3.4 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.21 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' A' ' 42' ' ' MET . 17.7 m-20 -80.72 -10.83 59.7 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.38 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.66 4.84 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.97 83.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.995 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.689 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.53 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.843 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.16 27.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.214 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.07 68.8 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.093 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.08 54.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.944 0.402 . . . . 0.0 110.8 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -87.89 -40.89 13.59 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.489 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.27 -24.37 26.0 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.45 68.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.893 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -79.03 -30.74 44.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.8 m -77.95 -34.33 51.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.067 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.86 -29.9 68.31 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.2 mt -87.16 -58.68 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.631 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -58.41 -36.13 73.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -77.52 -49.97 13.6 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.897 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -63.75 -42.31 97.87 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.18 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -81.29 97.21 7.56 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.344 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -97.22 144.37 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.379 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -127.4 140.33 52.25 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.492 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -155.73 -71.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -146.75 92.69 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.595 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.542 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.27 44.19 0.43 Allowed Glycine 0 C--N 1.335 0.526 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.79 -38.08 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.175 0.512 . . . . 0.0 110.219 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.6 t -86.94 -45.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.524 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -45.54 -56.27 5.3 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.641 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.94 -44.95 78.88 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.623 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.25 -39.32 82.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.97 -24.97 47.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' ALA . 8.1 m-20 -84.49 -26.62 28.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -63.75 -41.45 98.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.479 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -73.83 -34.95 64.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.772 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -79.96 -33.37 39.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.433 . . . . 0.0 110.896 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -52.73 -33.19 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 46.6 mt -55.81 -63.67 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.945 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.68 -27.4 63.02 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.518 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.9 37.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -151.67 9.85 0.54 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.276 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -20.97 65.39 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.2 -42.0 19.57 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.292 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.79 -23.38 60.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.003 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.44 -47.44 85.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.782 -179.5 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.53 -38.63 21.48 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.513 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 m -64.43 -44.07 92.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.782 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.6 -37.41 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.977 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -81.69 -24.03 36.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.753 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -71.25 -37.2 63.41 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.77 -25.78 24.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.196 0.522 . . . . 0.0 111.142 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.75 -53.54 7.02 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.841 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -65.03 -19.9 66.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.715 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.6 tp -82.77 -60.61 2.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.092 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.51 -35.65 30.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.719 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.92 -7.93 59.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -68.2 -24.53 64.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.803 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.2 p -82.8 158.31 22.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -88.52 42.32 3.07 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.25 152.05 39.36 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -126.34 70.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.924 0.392 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.65 166.62 13.83 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.59 118.98 4.35 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.6 t-105 -116.1 -20.52 9.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.6 0.238 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' GLU . 14.5 tpp -58.74 -46.65 86.95 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.738 0.78 . . . . 0.0 110.64 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.8 mm-40 -42.55 -79.26 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.933 -175.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.638 ' O ' HG23 ' A' ' 48' ' ' ILE . 33.6 m95 -58.93 -7.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -177.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.48 -8.34 59.71 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 119.994 -0.682 . . . . 0.0 111.386 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.84 -48.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.72 -38.95 83.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.41 -20.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.36 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.164 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.47 -38.07 68.61 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.147 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -5.03 54.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.945 0.402 . . . . 0.0 110.812 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.91 -40.97 13.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.501 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.24 -24.36 26.05 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.805 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.9 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.846 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -76.81 -28.7 55.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -22.93 39.5 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.052 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.86 -38.89 52.87 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.862 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 72.1 mt -79.62 -58.8 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.628 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.08 -49.8 50.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.74 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.13 -51.6 69.31 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.893 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 1.065 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.3 m -60.87 -42.71 98.44 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.114 -178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.5 OUTLIER -46.48 25.45 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.266 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 1.065 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.5 t-20 -43.98 116.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.354 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt-30 -123.71 159.88 28.44 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.772 0.32 . . . . 0.0 110.555 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -174.02 -70.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -149.98 94.71 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.522 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.05 103.29 0.24 Allowed Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -108.65 -17.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.17 0.51 . . . . 0.0 110.387 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.72 -41.44 13.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.349 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -45.88 -61.91 1.54 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.874 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -55.93 -44.47 78.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.6 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -55.22 -43.08 74.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -79.42 -28.94 41.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 15.2 m-20 -74.56 -28.21 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.668 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -45.11 79.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.651 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -69.24 -33.53 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 -179.696 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -84.61 -34.26 23.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.283 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.15 -41.58 49.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.119 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.438 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 50.4 mt -49.44 -60.87 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.008 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.21 -32.28 70.11 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.45 -175.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.4 39.84 0.06 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.061 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.3 pt20 -156.89 11.75 0.24 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.916 0.389 . . . . 0.0 111.023 177.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -22.62 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.594 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -82.27 -40.81 21.03 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.287 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 tp -60.73 -21.59 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.03 -177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -44.36 96.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.793 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.31 -33.62 22.06 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -68.34 -37.38 80.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.631 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -68.8 -40.97 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.64 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -72.77 -34.43 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -84.38 -24.43 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.328 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.58 -35.81 59.08 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.3 pt -72.46 -27.65 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.972 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -78.4 -55.19 5.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.864 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -62.53 -19.94 64.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.588 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -85.07 -57.44 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.001 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.77 -42.82 62.67 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.695 -178.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.14 -8.19 55.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.783 0.325 . . . . 0.0 110.476 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -66.46 -25.21 66.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.9 p -77.7 163.22 26.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.9 41.39 2.36 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.84 153.54 38.38 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -124.35 70.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.014 0.435 . . . . 0.0 110.54 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.21 161.41 20.58 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.75 121.47 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 28.6 t-105 -110.0 -30.27 7.87 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.476 0.179 . . . . 0.0 110.718 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 6.5 tpp -48.13 -41.17 25.89 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.4 mm-40 -41.38 -77.83 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.683 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.643 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -59.15 -6.92 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -81.52 -6.67 59.2 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.991 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.91 -48.11 5.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.76 -39.48 84.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.643 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.51 -21.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.686 -179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.42 -41.11 25.12 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.207 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -55.1 -35.73 64.93 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -83.38 -4.14 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.89 -40.41 13.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.352 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.05 -23.81 24.83 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.774 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.21 -30.88 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.844 0.354 . . . . 0.0 110.831 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.04 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.892 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -77.5 -29.91 52.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.2 m -82.07 -25.28 34.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.02 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 tp -76.01 -37.82 58.0 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -79.8 -62.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.83 0.348 . . . . 0.0 111.385 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -54.76 -28.04 45.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.54 -177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.87 -28.24 19.37 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.484 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.3 m -81.3 -46.16 15.15 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.343 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -82.65 102.82 11.72 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.184 0.516 . . . . 0.0 110.356 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -99.58 143.32 29.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.312 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.76 0.315 . . . . 0.0 110.491 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -151.71 -72.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.412 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -148.97 93.4 2.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.402 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.561 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.39 86.28 0.15 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.02 -1.232 . . . . 0.0 110.02 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.2 mt -96.0 -17.11 7.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.128 0.489 . . . . 0.0 110.363 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.06 -45.09 15.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.361 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -45.46 -62.55 1.23 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.907 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -57.02 -43.3 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.753 -0.779 . . . . 0.0 110.601 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -57.84 -41.11 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -81.12 -30.2 34.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 19.1 m-20 -74.82 -26.75 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.647 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -65.15 -41.43 94.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.631 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -73.74 -37.3 65.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.794 -179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -79.65 -32.45 41.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.285 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -53.32 -33.38 53.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.153 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 57.0 mt -58.88 -61.98 1.19 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.023 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.18 -32.83 70.95 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.504 -176.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 40.65 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.057 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -157.61 12.67 0.22 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.985 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -22.57 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.649 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -82.24 -40.84 21.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.327 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.45 -21.46 60.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -48.39 79.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.799 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.17 -35.34 28.48 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.387 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -64.5 -35.87 82.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.4 m -71.33 -37.5 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.671 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.6 t -75.33 -34.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.122 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -84.07 -24.77 30.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.46 -34.92 60.02 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.1 pt -72.92 -29.76 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.002 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -76.36 -57.44 3.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.798 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.35 -20.39 62.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.753 0.311 . . . . 0.0 110.581 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 tp -84.63 -57.36 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.011 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -51.03 -42.02 60.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.67 -178.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.22 -8.63 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.788 0.328 . . . . 0.0 110.447 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -64.62 -21.51 66.73 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 98.7 p -80.8 164.2 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.0 42.56 2.15 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.12 153.92 36.46 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -125.13 71.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.987 0.422 . . . . 0.0 110.585 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.65 163.0 20.71 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.23 122.0 5.47 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -111.31 -30.14 7.54 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.488 0.185 . . . . 0.0 110.698 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 7.7 tpp -47.83 -42.1 25.48 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 121.297 0.57 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 4.6 mm-40 -41.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.705 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 48' ' ' ILE . 48.1 m95 -57.79 -7.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -81.5 -6.75 59.27 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.114 -0.634 . . . . 0.0 111.03 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -98.9 -48.09 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.965 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -59.72 -39.47 84.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.97 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' O ' ' A' ' 44' ' ' TRP . 5.0 pt -49.61 -21.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.702 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -80.46 -41.02 25.16 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.223 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -55.04 -35.8 64.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.136 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -83.34 -4.21 58.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.977 0.418 . . . . 0.0 110.783 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.7 m -87.85 -40.47 13.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.317 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -87.01 -23.78 24.88 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.803 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.19 -30.93 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.8 -20.04 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.905 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -77.93 -29.81 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 m -81.66 -26.23 34.92 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.011 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -75.09 -35.32 61.79 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.0 mt -80.97 -62.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.859 0.361 . . . . 0.0 111.421 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -55.63 -27.62 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.583 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.39 -26.52 19.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.524 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.2 m -83.4 -46.09 12.94 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.332 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -84.08 103.21 13.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.208 0.528 . . . . 0.0 110.325 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -98.29 143.42 28.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.345 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -121.61 136.77 54.93 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -151.07 -72.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -148.21 93.66 2.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.418 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.57 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.71 59.42 0.27 Allowed Glycine 0 C--N 1.336 0.546 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.7 mt -79.18 -28.42 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.26 0.552 . . . . 0.0 110.279 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -89.06 -38.2 11.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.534 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -46.27 -65.09 0.6 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.639 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.34 -42.57 82.21 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.565 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -51.6 -49.81 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.029 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -73.26 -36.64 66.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.163 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -69.25 -28.57 66.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.582 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -55.36 -37.21 67.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.455 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.6 tt -84.44 -39.56 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.762 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -69.41 -34.66 74.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.49 -45.5 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.173 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 63.5 mt -45.14 -61.67 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.951 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.4 -29.63 66.31 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.549 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.49 40.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.328 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.1 pt20 -155.72 8.85 0.26 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.248 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -21.06 65.48 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.94 19.57 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.287 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -59.39 -21.79 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.029 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.19 -43.48 98.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.768 -179.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -87.55 -30.86 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.485 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -70.68 -38.27 73.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.681 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 90.3 m -65.51 -42.51 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.762 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.0 t -71.09 -40.9 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.031 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -78.17 -22.86 48.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.765 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -72.86 -36.16 57.83 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.5 pt -73.77 -30.52 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.202 0.525 . . . . 0.0 111.175 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -72.26 -55.06 7.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.81 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.31 -21.14 66.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.789 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 16.5 tp -81.38 -59.62 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.142 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.28 -42.86 53.02 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.23 -9.53 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.8 ttm180 -65.42 -21.76 66.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.7 p -86.85 162.11 17.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.6 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.49 44.59 2.59 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 145.76 25.45 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -121.62 75.05 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.447 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.69 168.26 17.86 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -119.19 121.07 4.86 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -116.38 -25.9 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.557 0.218 . . . . 0.0 110.822 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 tpp -51.19 -45.53 61.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.792 0.806 . . . . 0.0 110.614 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -42.79 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.973 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.3 m95 -55.33 -8.81 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 119.097 -0.477 . . . . 0.0 112.242 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.71 -8.49 59.71 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.351 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.88 -48.63 4.84 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.72 -38.99 83.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.4 -20.54 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.828 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.7 -41.12 27.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.227 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.04 68.75 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.097 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -79.77 -4.98 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.953 0.406 . . . . 0.0 110.786 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.3 26.12 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.53 -29.42 68.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.876 0.369 . . . . 0.0 110.785 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.93 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.881 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -78.39 -30.62 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 m -76.92 -34.31 57.69 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.07 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.9 tp -68.41 -28.43 67.08 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.35 -62.39 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.611 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -56.43 -36.13 68.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.735 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.6 -31.66 41.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.933 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 m -83.94 -46.44 12.09 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.184 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -81.81 100.01 9.32 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.171 0.51 . . . . 0.0 110.287 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -99.85 144.39 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.361 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.62 126.6 45.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.801 0.334 . . . . 0.0 110.478 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -139.96 -72.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.466 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -147.23 92.71 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.54 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.18 78.7 0.08 OUTLIER Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.6 mt -98.04 -26.48 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.286 0.565 . . . . 0.0 110.301 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -83.84 -50.33 15.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.593 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -46.81 -63.48 1.01 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.639 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -49.27 -44.59 44.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.538 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -61.69 -48.8 79.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.024 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.14 -30.9 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.677 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 20.8 m-20 -75.23 -20.43 59.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.63 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -41.0 87.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.415 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -54.9 14.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.787 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -64.17 -30.61 71.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -55.69 -18.71 8.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.177 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -74.72 -64.58 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' GLN . 3.3 mp0 -73.99 -32.8 63.57 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.472 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 43.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.346 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLU . 3.6 pt20 -159.45 22.27 0.19 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.21 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -21.03 65.44 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.15 -42.08 19.56 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.27 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.78 -22.75 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.035 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -63.18 -63.28 1.24 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -35.06 66.57 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.553 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.6 -36.32 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.77 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.4 m -75.18 -30.9 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.775 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 21' ' ' LEU . 91.0 t -81.57 -33.5 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.024 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -84.9 -30.89 24.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.775 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.14 -33.84 84.42 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 24' ' ' THR . 32.6 pt -73.48 -27.36 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.233 0.54 . . . . 0.0 111.118 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -75.42 -58.87 3.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.829 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.46 -22.79 63.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.843 0.354 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 15.0 tp -78.57 -59.81 2.63 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.189 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.41 -45.5 18.0 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.808 -178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.69 -10.32 59.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.561 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.7 ttm180 -61.62 -21.23 64.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.2 p -87.25 155.86 19.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.44 47.66 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.74 149.88 21.99 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -128.42 69.68 1.36 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.012 0.434 . . . . 0.0 110.431 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.97 177.06 16.33 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.35 118.91 3.38 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -119.4 -12.53 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.512 0.196 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 45' ' ' ASP . 6.0 tpp -72.38 -44.9 61.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.724 0.773 . . . . 0.0 110.601 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.2 mm-40 -36.12 -60.64 0.54 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.919 -175.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' O ' HG23 ' A' ' 48' ' ' ILE . 29.0 m95 -71.09 -0.8 10.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 119.104 -0.474 . . . . 0.0 112.244 -178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.551 ' N ' ' O ' ' A' ' 42' ' ' MET . 57.2 m-20 -80.97 -9.38 59.85 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.372 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.81 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.972 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.69 -39.03 83.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.636 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.49 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.907 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.71 -41.18 27.28 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.187 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.04 68.65 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.154 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.98 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.97 13.52 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.449 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.39 26.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.41 -29.51 69.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.85 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.908 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -78.38 -30.16 47.76 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -76.75 -34.29 58.07 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.067 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -65.87 -33.31 75.54 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.46 -54.93 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.655 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -61.41 -35.32 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.714 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.08 -22.29 31.23 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.897 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.1 m -91.97 -45.96 8.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.158 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -82.63 98.7 9.15 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.149 0.499 . . . . 0.0 110.356 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -96.25 146.37 24.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.357 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -128.01 130.64 48.64 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.782 0.325 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -144.91 -71.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.29 91.98 2.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.636 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.533 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.79 49.38 0.3 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -78.66 -33.24 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.222 0.534 . . . . 0.0 110.256 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.6 t -87.71 -47.3 15.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.532 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -45.67 -58.56 3.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.692 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -53.73 -46.38 70.83 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.719 -0.792 . . . . 0.0 110.565 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -59.77 -41.78 91.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.975 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -74.45 -27.62 60.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -80.82 -26.02 37.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -63.86 -42.9 97.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 -179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -70.54 -38.99 74.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.726 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.1 mtt-85 -76.52 -37.37 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -29.58 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.176 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.9 mt -59.83 -63.63 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.413 -0.515 . . . . 0.0 109.92 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.58 -27.59 62.28 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.878 -0.729 . . . . 0.0 110.525 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.43 37.06 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -150.92 10.81 0.63 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.302 178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -20.91 65.36 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.531 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.96 19.44 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.89 -23.47 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -50.36 73.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.37 -37.59 27.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.529 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -40.6 96.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.744 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.8 m -65.53 -41.92 92.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.7 -35.94 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.009 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -83.16 -23.68 32.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.01 -38.55 59.78 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.12 -24.9 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.243 0.544 . . . . 0.0 111.149 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -78.09 -54.44 6.26 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.795 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -65.58 -21.1 66.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.698 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 tp -79.14 -62.82 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.148 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.96 -40.29 29.84 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.766 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.34 -8.15 55.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.498 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -69.74 -20.72 63.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.6 p -84.69 159.75 20.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.566 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.67 44.69 3.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -82.34 148.46 26.64 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -125.03 72.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.933 0.397 . . . . 0.0 110.427 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -121.62 175.27 16.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -123.66 119.34 3.77 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 t-105 -115.66 -24.37 8.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.615 0.245 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.7 tpp -55.4 -45.56 76.64 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.73 0.776 . . . . 0.0 110.585 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -43.31 -79.79 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.999 -175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.629 ' O ' HG23 ' A' ' 48' ' ' ILE . 42.5 m95 -55.81 -8.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -81.37 -8.52 59.75 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.34 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.79 -48.69 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.99 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.94 83.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.831 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.12 27.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.228 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.58 -37.96 68.74 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.15 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.74 -5.06 54.52 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.4 m -87.84 -41.02 13.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.52 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.36 26.16 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.5 -29.44 68.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.92 0.39 . . . . 0.0 110.756 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.87 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -77.77 -29.47 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.3 m -80.36 -27.43 38.27 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.032 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.61 -33.8 62.68 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 78.3 mt -84.98 -57.54 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -50.69 -48.5 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.77 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.82 -55.99 28.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.85 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 1.159 ' O ' ' N ' ' A' ' 64' ' ' ASN . 14.6 m -58.77 -43.12 90.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.19 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.4 OUTLIER -43.18 29.4 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.258 179.49 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 1.159 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.6 t-20 -40.11 115.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.342 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 9.4 mt-30 -124.36 157.72 34.38 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.551 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -174.29 -75.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -146.06 93.2 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.523 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.503 179.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.4 28.43 0.62 Allowed Glycine 0 C--N 1.336 0.552 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.36 -47.25 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 0.0 110.279 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 48.9 t -80.06 -36.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.51 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' GLN . 61.9 tp60 -44.2 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.624 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' GLN . 26.0 mt-30 -44.47 -39.38 4.75 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.7 -0.8 . . . . 0.0 110.569 -176.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 30.6 mm-40 -52.5 -54.95 25.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.021 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.03 -33.06 69.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' ALA . 12.1 m-20 -69.25 -24.81 64.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.571 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.79 -39.98 95.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -76.56 -30.29 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.708 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -86.28 -24.24 26.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -58.53 -30.36 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.213 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 40.9 mt -61.79 -63.59 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.92 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -69.68 -32.13 70.57 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.552 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.08 45.06 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.369 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.3 pt20 -160.22 12.3 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.272 177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -21.03 65.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -82.23 -41.96 19.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tp -61.49 -20.72 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -175.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.82 -48.19 77.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.753 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.86 -35.43 20.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.545 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -64.15 -29.82 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.695 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.8 m -79.32 -33.04 43.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.8 t -80.96 -33.74 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.029 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -85.04 -24.52 28.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.759 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.77 -26.93 65.96 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -78.57 -29.7 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.229 0.538 . . . . 0.0 111.198 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.49 -60.04 2.45 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.806 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -58.61 -21.96 54.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.807 0.337 . . . . 0.0 110.728 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp -84.26 -54.87 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.091 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -51.75 -40.42 60.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.788 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.82 -9.95 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -57.74 -23.18 50.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -85.38 158.61 20.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.04 46.79 3.3 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.94 150.85 32.92 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -124.21 71.45 1.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.96 0.41 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.18 166.47 16.75 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.94 121.37 4.98 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -116.05 -19.47 10.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.569 0.223 . . . . 0.0 110.79 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.5 tpp -57.37 -46.21 83.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.709 0.766 . . . . 0.0 110.576 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -42.21 -76.52 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.984 -176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 48' ' ' ILE . 52.7 m95 -57.96 -8.26 0.97 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 119.084 -0.484 . . . . 0.0 112.237 -178.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -81.47 -9.09 59.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.368 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.89 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -38.92 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.981 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.37 -20.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.852 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.15 27.5 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.197 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.52 -38.07 68.73 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.148 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.0 54.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.958 0.409 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -40.95 13.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.538 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.41 26.14 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.46 68.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.97 0.414 . . . . 0.0 110.83 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.87 -20.79 6.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.862 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -77.41 -30.04 53.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 m -77.95 -30.84 50.61 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.053 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 18.7 tp -68.81 -30.51 69.09 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.823 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 44.5 mt -85.85 -54.81 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.624 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -62.98 -28.64 70.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.738 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.05 -22.04 20.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.924 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 38.4 m -92.06 -45.54 8.25 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.157 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.87 99.71 10.51 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.351 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -94.97 145.57 24.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.322 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -126.93 129.46 48.22 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.3 -69.36 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -150.32 97.07 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.557 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.517 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.34 46.0 0.41 Allowed Glycine 0 C--N 1.335 0.512 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.3 mt -76.04 -31.7 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.189 0.519 . . . . 0.0 110.216 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.0 t -89.19 -53.15 9.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.538 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -44.46 -56.68 4.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.638 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -49.23 -50.2 39.61 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.561 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -56.56 -55.94 27.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.98 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -58.85 -42.77 90.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.059 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -64.02 -27.67 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.609 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -48.4 79.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -66.12 -34.84 78.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.802 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -78.88 -48.29 14.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -38.65 -33.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.155 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 30.7 mt -57.1 -64.68 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.903 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.95 -24.56 62.45 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 119.831 -0.748 . . . . 0.0 110.5 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.18 30.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.9 pt20 -142.35 8.96 1.82 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 120.639 -0.425 . . . . 0.0 111.259 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.9 65.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.35 -41.93 19.38 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.286 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.9 -25.86 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.6 -47.12 86.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.75 -179.365 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.19 -38.88 21.72 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.481 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -60.72 -46.28 91.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.764 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.3 m -57.91 -48.01 81.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.803 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.7 t -65.01 -39.44 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.969 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -78.48 -24.74 45.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.74 -43.17 68.34 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.2 pt -66.82 -27.04 38.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.271 0.558 . . . . 0.0 111.211 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -72.77 -49.87 28.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -70.97 -32.22 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 53.1 tp -60.32 -70.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.963 0.411 . . . . 0.0 110.153 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -45.09 28.96 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.762 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.09 -6.93 7.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.487 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 25.3 ttm180 -79.26 -13.88 59.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.7 p -90.84 149.96 21.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.57 41.25 2.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.37 149.17 36.74 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -122.81 65.32 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.961 0.41 . . . . 0.0 110.468 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -118.95 165.76 13.04 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -117.62 122.78 5.54 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 13.9 t-105 -116.19 -23.52 8.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.571 0.224 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.6 tpp -54.91 -45.94 74.81 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.768 0.794 . . . . 0.0 110.58 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -43.33 -80.16 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.95 -176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.593 ' O ' HG23 ' A' ' 48' ' ' ILE . 37.5 m95 -54.04 -7.97 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 119.076 -0.488 . . . . 0.0 112.253 -178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 42' ' ' MET . 26.7 m-20 -82.39 -6.61 59.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.358 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.83 -48.64 4.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.027 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.028 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.818 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.16 27.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.285 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.12 68.55 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.15 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.69 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.81 -41.0 13.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.538 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.37 26.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.55 -29.47 68.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.917 0.389 . . . . 0.0 110.689 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.76 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -76.31 -29.91 57.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 m -80.61 -25.48 38.4 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.081 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 62' ' ' SER . 12.7 tp -73.94 -36.6 64.66 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.884 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.8 mt -80.7 -59.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -58.09 -31.86 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.705 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.06 -28.48 22.54 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 67.2 m -80.52 -44.16 19.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.076 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -86.81 104.3 16.05 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -96.39 146.3 24.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.36 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -125.27 136.49 53.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.557 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -153.41 -66.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.572 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -153.75 97.49 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.24 43.48 0.33 Allowed Glycine 0 C--N 1.336 0.532 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt -74.36 -37.31 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.196 0.522 . . . . 0.0 110.217 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.58 -52.09 13.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.512 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -45.78 -57.78 4.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.644 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -48.82 -48.49 41.56 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.715 -0.794 . . . . 0.0 110.579 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.1 -43.69 95.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.0 -29.95 64.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -77.94 -25.84 48.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.579 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -65.01 -49.09 71.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.492 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -63.55 -36.17 82.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.831 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -79.71 -38.03 34.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.51 -23.54 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 49.4 mt -65.46 -64.46 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.918 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.28 -26.95 62.18 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.47 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 35.76 0.1 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -149.63 10.2 0.73 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.25 178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.89 65.33 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.24 -41.96 19.54 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.331 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.64 -23.68 52.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.66 -51.3 69.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.767 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -79.67 -38.8 32.82 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.51 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -61.71 -41.01 97.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.698 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.5 m -64.93 -42.51 94.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -70.82 -36.25 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -81.93 -23.31 36.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.743 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.01 -38.41 55.68 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.9 pt -69.53 -26.1 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.248 0.547 . . . . 0.0 111.134 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -77.12 -53.14 8.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.811 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -65.67 -22.27 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.715 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 38.4 tp -77.57 -63.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -48.58 -42.24 33.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.746 -178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.03 -7.81 50.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 23.6 ttm180 -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.806 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.1 p -84.4 154.88 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.39 45.34 3.44 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.26 153.85 38.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -127.9 70.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -123.66 168.34 15.85 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.27 120.68 4.8 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 12.9 t-105 -115.18 -20.03 10.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 0.0 110.787 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.4 tpp -58.15 -45.18 87.86 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.7 0.762 . . . . 0.0 110.627 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -43.13 -79.14 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.967 -175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.653 ' O ' HG23 ' A' ' 48' ' ' ILE . 43.0 m95 -56.5 -8.92 0.61 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -81.21 -9.3 59.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.377 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.69 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.005 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.76 -38.94 83.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.809 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.72 -41.14 27.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.183 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.03 68.64 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.169 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.7 -5.06 54.42 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.796 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 48' ' ' ILE . 5.5 m -87.93 -41.0 13.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.449 -179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.13 -24.41 26.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.43 68.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 0.0 110.788 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.86 -20.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.789 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -76.79 -29.3 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.9 m -74.09 -35.47 64.2 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.065 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.43 -40.68 81.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.842 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.49 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.631 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -52.57 -37.75 58.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.726 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.88 -54.37 10.29 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.916 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 1.124 ' O ' ' N ' ' A' ' 64' ' ' ASN . 5.8 m -57.21 -41.95 80.41 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.182 -178.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' A' ' 65' ' ' GLN . 0.6 OUTLIER -44.0 24.78 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.187 0.518 . . . . 0.0 110.271 178.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 1.124 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.8 t-20 -40.51 117.08 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.364 177.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt-30 -125.02 162.11 25.26 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.819 0.342 . . . . 0.0 110.525 178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -176.06 -72.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.528 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -147.95 95.02 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.554 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.43 44.56 0.42 Allowed Glycine 0 C--N 1.335 0.496 0 N-CA-C 109.773 -1.331 . . . . 0.0 109.773 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -74.32 -29.96 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.215 0.531 . . . . 0.0 110.343 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.6 t -91.37 -48.08 14.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.649 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -46.07 -59.03 3.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.594 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -52.68 -46.38 67.21 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.524 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -61.47 -32.77 72.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.971 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -84.36 -28.31 27.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -80.34 -25.51 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.428 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 -179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 -74.13 -41.84 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.68 -30.51 0.95 Allowed 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.165 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 52.3 mt -59.51 -63.56 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -73.04 -26.93 61.48 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.452 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.1 35.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.364 -178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.4 pt20 -151.28 10.46 0.59 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.241 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -21.06 65.43 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.519 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.98 19.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.276 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.49 -23.67 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.06 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.28 72.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.796 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -83.03 -30.19 28.28 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.559 -0.457 . . . . 0.0 110.518 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.86 -39.78 69.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.775 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.1 m -64.62 -43.88 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.731 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.43 -33.17 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.945 0.402 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.01 -32.59 26.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.806 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.42 -37.01 94.15 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 pt -71.89 -29.16 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.229 0.537 . . . . 0.0 111.14 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -70.77 -52.61 19.55 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.78 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -68.12 -19.95 64.87 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 29.2 tp -77.15 -63.38 1.38 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.204 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -41.18 32.18 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.49 -8.19 53.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.578 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -70.32 -20.72 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 p -86.2 154.83 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -86.5 45.82 3.5 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 145.79 21.84 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -122.84 70.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 0.0 110.439 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -120.6 171.68 14.78 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.74 120.54 4.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -119.59 -17.62 8.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.516 0.198 . . . . 0.0 110.782 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.635 ' O ' ' N ' ' A' ' 45' ' ' ASP . 3.8 tpp -64.54 -47.4 78.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.733 0.778 . . . . 0.0 110.716 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -33.16 -59.01 0.37 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.931 -176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.678 ' O ' HG23 ' A' ' 48' ' ' ILE . 30.7 m95 -77.21 2.81 14.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 119.107 -0.473 . . . . 0.0 112.244 -178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 42' ' ' MET . 25.5 m-20 -80.79 -10.4 59.73 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.39 178.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.9 -48.58 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.987 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.86 -38.91 83.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 -179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.678 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.75 -41.13 27.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.204 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.57 -37.97 68.74 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.148 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.77 -4.99 54.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.812 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.92 -40.97 13.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.1 -24.47 26.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.41 68.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.89 -20.89 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.843 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -79.14 -30.65 43.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -77.2 -35.37 55.75 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.119 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.33 -31.15 71.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.5 mt -83.89 -56.93 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.46 -38.35 77.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.715 -178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.63 -27.47 37.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.937 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.4 m -85.11 -45.97 11.57 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.155 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -82.58 97.85 8.68 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.349 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -95.43 145.7 24.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.405 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -128.3 140.3 51.95 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.811 0.338 . . . . 0.0 110.5 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -156.18 -68.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.448 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -151.54 92.91 1.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.515 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.21 39.94 0.62 Allowed Glycine 0 C--N 1.336 0.545 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.59 -32.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.55 -47.87 13.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.541 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -43.76 -51.92 6.95 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.667 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -61.84 -41.81 98.27 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.509 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -62.03 -41.54 98.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.84 -29.77 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 21.0 m-20 -78.79 -24.29 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.616 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -42.19 97.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.444 -179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -44.49 67.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -70.29 -41.31 73.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -44.02 -28.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 35.0 mt -64.66 -64.11 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 120.353 -0.539 . . . . 0.0 109.888 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.2 mp0 -71.65 -31.62 67.03 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.829 -0.748 . . . . 0.0 110.517 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.97 39.22 0.07 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.364 -177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 13' ' ' ALA . 2.6 pt20 -154.56 12.68 0.4 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.28 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.68 -20.92 65.35 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.27 -41.96 19.49 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.316 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 24' ' ' THR . 1.8 tp -58.4 -22.41 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.0 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -62.78 -54.48 38.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -78.46 -37.17 44.17 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -64.12 -36.96 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.67 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 20' ' ' LEU . 24.0 m -68.37 -40.44 81.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.763 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.41 -36.03 47.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.979 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -82.97 -26.31 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -68.85 -35.65 80.13 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.12 -28.54 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.276 0.56 . . . . 0.0 111.172 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -74.68 -55.76 5.53 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.806 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -64.19 -20.89 66.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.695 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 30.9 tp -78.7 -60.81 2.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.959 0.409 . . . . 0.0 110.154 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.46 -46.83 38.48 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.781 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.72 -9.42 36.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.504 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.3 ttm180 -67.93 -19.69 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.7 p -89.17 153.96 20.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.24 42.12 3.12 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.57 151.65 36.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -125.59 74.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.899 0.38 . . . . 0.0 110.424 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -127.96 152.39 18.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.0 119.91 6.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -115.81 -28.34 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.562 0.22 . . . . 0.0 110.8 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 8.5 tpp -51.1 -45.02 61.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.783 0.801 . . . . 0.0 110.588 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.9 -78.23 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.993 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' ILE . 41.7 m95 -55.47 -7.52 0.26 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 119.088 -0.482 . . . . 0.0 112.246 -178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 42' ' ' MET . 55.6 m-20 -82.77 -6.38 59.38 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 119.991 -0.684 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.76 -48.67 4.85 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.017 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.68 -38.96 82.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.996 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.38 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.855 -179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.68 -41.15 27.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.243 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.03 68.6 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.164 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.76 -5.01 54.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.89 -41.0 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.529 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.12 -24.41 26.25 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.46 -29.48 68.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.933 0.397 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.85 -20.89 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.809 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.55 -29.64 56.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.0 m -71.7 -40.07 69.76 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.047 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 62' ' ' SER . 5.6 tp -65.09 -41.48 94.93 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.862 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -72.31 -64.81 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.627 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -57.2 -24.84 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.754 -176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -92.52 -35.96 13.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.902 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 23.9 m -75.69 -45.07 38.96 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.147 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -81.37 95.93 7.18 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.295 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -95.38 145.25 25.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -125.8 140.52 52.61 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.499 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -155.96 -68.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -150.71 94.7 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.504 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.29 42.12 1.11 Allowed Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.0 mt -76.2 -34.13 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.22 0.533 . . . . 0.0 110.249 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.2 t -82.35 -52.72 13.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.512 179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -46.16 -61.03 1.95 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.626 -178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -51.54 -47.53 63.36 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.788 -0.765 . . . . 0.0 110.532 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -60.88 -31.74 71.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.72 -32.78 23.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -73.79 -26.67 60.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -43.42 98.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.534 -179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -74.23 -28.28 61.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 -179.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -84.63 -38.31 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.29 -36.39 20.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.093 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 48.5 mt -52.43 -63.28 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.976 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.24 -26.27 61.06 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.49 -174.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.12 32.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.299 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.7 pt20 -147.21 10.79 1.01 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.295 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -20.98 65.33 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.484 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.3 -41.87 19.55 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.284 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.18 -25.04 45.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -48.89 79.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -82.81 -40.64 20.12 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.507 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -60.04 -47.19 86.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.756 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.8 m -57.16 -49.01 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.823 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.26 -36.64 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -79.72 -34.75 39.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.711 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -57.35 -42.8 93.82 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 29' ' ' LYS . 13.8 pt -65.78 -42.25 91.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.28 0.562 . . . . 0.0 111.197 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 28' ' ' ILE . 11.1 tmtt? -60.07 -49.81 76.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.869 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -68.23 -30.22 69.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.341 . . . . 0.0 110.741 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 51.9 tp -65.0 -69.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.109 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.82 -48.2 20.88 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.778 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -9.16 3.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttm180 -74.89 -20.3 59.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.9 p -86.14 147.12 26.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.522 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.33 40.81 2.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.89 151.25 42.33 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -124.73 65.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 110.379 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -112.44 175.34 16.89 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -128.84 121.28 3.54 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -117.92 -16.99 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.535 0.207 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' ASP . 4.2 tpp -57.27 -49.7 75.22 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.745 0.783 . . . . 0.0 110.633 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -42.87 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.961 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 55.2 m95 -56.42 -8.52 0.54 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 42' ' ' MET . 10.3 m-20 -81.76 -8.35 59.69 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 119.988 -0.685 . . . . 0.0 111.327 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.81 -48.59 4.87 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.053 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.78 -38.88 83.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.0 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.47 -20.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.786 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.63 -41.27 27.37 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.202 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.42 -38.04 68.46 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.164 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.08 54.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.974 0.416 . . . . 0.0 110.852 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.85 -40.98 13.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.525 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.4 26.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.47 68.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.8 -20.93 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.889 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -76.04 -29.01 57.91 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -82.47 -20.8 36.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.074 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.589 ' O ' ' OG ' ' A' ' 62' ' ' SER . 8.3 tp -79.14 -33.99 43.67 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.85 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -84.81 -59.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.613 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -57.7 -30.55 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.736 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -91.92 -26.73 18.3 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.901 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 54.4 m -82.7 -28.04 30.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.129 -177.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -103.89 103.76 13.66 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.343 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -95.24 143.03 26.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.342 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -123.83 143.38 50.37 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 120.805 0.336 . . . . 0.0 110.509 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -161.59 -68.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -150.73 97.72 2.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.561 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.502 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.19 37.37 0.3 Allowed Glycine 0 C--N 1.336 0.555 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 50.2 mt -64.55 -30.68 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 0.0 110.268 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t -94.17 -43.52 13.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.542 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -44.1 -55.89 4.42 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.625 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.89 -42.83 94.67 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.545 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.05 -44.11 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.994 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -77.01 -26.38 53.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 9.9 m-20 -78.95 -29.47 44.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.587 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.5 tt -63.56 -43.06 98.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.4 tt -72.15 -39.38 68.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt-85 -75.89 -38.13 58.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -50.29 -32.63 17.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.166 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 51.8 mt -58.27 -63.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.93 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.78 -29.32 64.34 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.531 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 38.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.357 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.0 pt20 -152.32 10.98 0.52 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.25 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -21.03 65.42 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.529 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.21 -41.99 19.56 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.286 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 tp -56.12 -23.28 33.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -61.09 -49.1 78.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.771 -179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.51 -35.2 25.03 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.699 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 20' ' ' LEU . 39.1 m -67.58 -40.05 84.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.782 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.67 -33.48 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.009 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -83.5 -28.87 28.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.74 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.13 85.17 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.92 -35.48 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.222 0.535 . . . . 0.0 111.172 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -70.87 -54.15 12.56 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.819 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -63.76 -22.87 67.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.733 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.7 tp -81.65 -61.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.117 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -50.17 -39.22 43.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.796 -178.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.19 -8.23 58.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -63.94 -27.17 68.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -80.66 161.69 24.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.33 42.84 2.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.45 148.09 35.12 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -120.18 76.43 1.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.463 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -124.62 165.23 17.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.58 118.99 4.35 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -117.63 -19.14 9.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.569 0.223 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.7 tpp -57.1 -47.41 81.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.733 0.778 . . . . 0.0 110.608 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -42.92 -77.9 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.982 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' HG23 ' A' ' 48' ' ' ILE . 59.7 m95 -55.88 -9.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 119.124 -0.465 . . . . 0.0 112.25 -178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -81.21 -9.45 59.78 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.34 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.85 -48.66 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.992 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -39.0 83.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.966 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.661 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.36 -20.58 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.853 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.69 -41.15 27.43 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.21 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.53 -38.01 68.69 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.153 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.72 -5.02 54.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 m -87.91 -40.96 13.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.503 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.22 -24.36 26.09 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.49 68.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.391 . . . . 0.0 110.814 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.84 -20.88 6.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.871 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -78.77 -30.62 45.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -77.12 -34.79 56.64 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.064 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.4 tp -66.46 -33.06 74.85 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.19 -59.53 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.623 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.71 -26.94 66.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.724 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -89.34 -37.34 14.96 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.897 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -78.24 -44.93 24.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.174 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -82.46 97.29 8.32 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.171 0.51 . . . . 0.0 110.304 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -98.48 145.12 27.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.351 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -125.76 133.96 51.89 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.811 0.338 . . . . 0.0 110.492 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -148.53 -69.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.49 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -150.3 95.92 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.555 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.517 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.22 44.65 1.46 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.796 -1.321 . . . . 0.0 109.796 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.6 mt -82.91 -18.97 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.224 0.535 . . . . 0.0 110.308 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.9 t -88.58 -50.51 13.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.592 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -45.81 -60.75 2.05 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.585 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -53.9 -46.53 71.43 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.579 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -59.18 -32.27 69.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.998 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -85.6 -32.38 22.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -75.21 -27.21 59.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -60.84 -40.11 91.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.434 -179.686 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.1 tt -76.6 -39.89 51.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -72.27 -40.95 67.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.24 -39.27 6.24 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.187 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 59.3 mt -51.2 -62.71 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.929 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 1.3 mp0 -73.82 -26.63 60.71 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.52 -175.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.1 33.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.8 pt20 -149.35 11.33 0.79 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.215 177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.55 -21.04 65.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.612 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.94 19.59 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.298 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.55 -24.72 61.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -60.1 -45.26 93.54 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.36 -36.18 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.481 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -63.66 -43.1 97.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.6 m -61.37 -45.96 92.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.709 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.27 -36.22 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.047 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -82.6 -26.06 32.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -69.16 -41.04 81.75 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 pt -67.8 -29.83 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.258 0.552 . . . . 0.0 111.141 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -73.08 -50.51 22.52 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.824 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -67.8 -24.35 65.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.775 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 27.6 tp -73.25 -66.2 0.71 Allowed 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.196 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -43.65 34.26 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.81 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.76 -8.17 33.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.616 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.8 ttm180 -71.49 -25.81 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.8 p -81.63 149.15 28.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.97 50.23 4.24 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.27 151.01 24.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -127.23 62.82 1.34 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 0.0 110.454 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.33 -178.55 20.78 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -130.66 120.45 2.99 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -120.56 -15.28 8.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 110.754 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.672 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.0 tpp -69.31 -48.3 61.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.718 0.771 . . . . 0.0 110.602 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.5 mm-40 -32.48 -58.84 0.32 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.903 -175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.713 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.1 m95 -76.95 2.54 14.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 119.103 -0.475 . . . . 0.0 112.215 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.672 ' N ' ' O ' ' A' ' 42' ' ' MET . 36.0 m-20 -80.59 -11.98 59.57 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.402 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -98.92 -48.64 4.83 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.956 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.75 -39.03 83.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.39 -20.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.67 -41.25 27.29 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.21 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.46 -38.05 68.57 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.171 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.73 -4.97 54.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -88.03 -40.86 13.5 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.415 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.25 -24.39 26.01 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.44 -29.52 69.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.799 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.76 -20.97 6.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.942 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -79.13 -30.32 43.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 m -77.09 -34.79 56.84 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.063 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 13.1 tp -66.43 -28.06 68.32 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.39 -52.7 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.659 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.58 -33.38 74.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.68 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -89.57 -19.53 24.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.933 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 66.8 m -89.54 -43.73 10.6 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.156 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -87.8 104.96 17.07 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.364 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -127.93 135.23 49.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.508 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -152.62 -70.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.14 93.91 2.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.552 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.525 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.68 45.32 0.41 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -72.88 -37.59 54.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.277 0.56 . . . . 0.0 110.221 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -84.61 -46.69 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.509 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -45.33 -56.57 4.79 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -55.77 -45.27 78.18 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.701 -0.8 . . . . 0.0 110.602 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -60.63 -37.57 81.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -79.86 -24.82 40.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -84.44 -25.49 28.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.6 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.824 -179.478 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -77.1 -39.22 50.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.94 -32.42 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.177 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.509 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 42.9 mt -57.49 -63.42 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.953 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.99 -27.94 62.09 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.479 -176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.04 36.65 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.352 -177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -152.0 11.51 0.56 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.255 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -20.91 65.33 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -82.22 -42.02 19.49 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.256 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.67 -23.51 51.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.003 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -60.71 -47.0 88.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.724 -179.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -84.69 -38.14 20.12 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.479 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.01 -42.18 98.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.696 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.5 m -65.03 -43.93 90.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.83 -30.98 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.979 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -83.41 -46.01 13.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.77 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.03 -38.34 31.51 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.1 pt -69.54 -29.8 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.235 0.54 . . . . 0.0 111.209 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -73.68 -53.04 11.3 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.762 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.49 -20.21 65.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.803 0.335 . . . . 0.0 110.749 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 34.7 tp -75.6 -63.93 1.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.161 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.98 -44.99 30.98 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.81 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -9.4 51.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.531 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 16.9 ttm180 -70.69 -14.14 62.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.5 p -95.04 154.69 17.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.14 40.13 3.09 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.48 149.91 37.62 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.97 70.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -116.05 178.29 17.42 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.57 120.33 3.13 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -118.43 -20.83 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.571 0.224 . . . . 0.0 110.759 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.2 tpp -58.08 -47.61 82.68 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.798 0.809 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -42.87 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' ILE . 51.9 m95 -56.09 -8.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 119.08 -0.486 . . . . 0.0 112.192 -178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -81.62 -8.61 59.73 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.335 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.77 -48.61 4.88 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.81 -38.93 83.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.968 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.58 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.65 -41.21 27.44 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.16 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.106 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -79.74 -5.03 54.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.94 0.4 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.9 -40.99 13.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.499 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.19 -24.39 26.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.48 -29.4 68.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.809 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.9 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.763 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -76.86 -29.6 55.91 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -80.36 -26.23 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.04 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.4 tp -73.66 -34.41 64.92 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.013 -0.675 . . . . 0.0 110.799 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.7 mt -85.18 -55.55 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.633 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -59.39 -30.88 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.786 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -90.27 -26.8 19.85 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 63.7 m -82.67 -44.72 15.38 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.114 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -84.95 101.72 12.58 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 121.203 0.525 . . . . 0.0 110.289 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -99.03 145.51 27.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.36 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -124.95 145.12 50.01 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.793 0.33 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -160.81 -67.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -151.94 91.45 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.517 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.505 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.794 -0.446 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -150.99 38.37 0.85 Allowed Glycine 0 C--N 1.336 0.538 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -70.09 -33.86 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.234 0.54 . . . . 0.0 110.342 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 56.8 t -87.76 -53.17 10.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.598 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -45.36 -58.65 3.16 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.681 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -51.39 -47.99 62.71 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.11 -36.71 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -81.01 -31.2 34.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.154 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -76.61 -28.32 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -59.75 -38.87 82.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.397 -179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -79.12 -40.88 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.795 -179.17 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -70.45 -42.04 72.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.5 -38.74 4.33 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.149 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 55.6 mt -51.95 -61.48 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.949 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 2.0 mp0 -74.12 -27.05 60.68 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.501 -175.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.22 31.73 0.1 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.393 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 3.1 pt20 -148.27 11.95 0.93 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.203 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -67.58 -21.01 65.45 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.23 -41.95 19.58 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.251 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.55 -25.16 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.053 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -45.49 90.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.73 -40.59 15.94 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.515 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -59.87 -47.54 85.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.727 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -58.48 -48.34 81.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.742 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.28 -34.06 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.963 0.411 . . . . 0.0 110.985 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -82.43 -33.25 28.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -63.03 -43.35 98.98 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.2 pt -65.21 -29.41 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 111.141 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -74.85 -47.82 28.27 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -70.12 -25.85 63.68 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 35.5 tp -67.5 -68.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.143 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -43.04 25.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.46 -7.82 28.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.549 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 22.2 ttm180 -74.92 -21.01 59.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 p -85.88 153.31 22.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.576 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.26 46.84 3.73 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.09 146.85 23.21 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -126.12 63.17 1.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.944 0.402 . . . . 0.0 110.421 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -114.27 170.51 13.32 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.98 120.46 4.82 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -122.1 -14.58 7.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.592 0.234 . . . . 0.0 110.8 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 45' ' ' ASP . 5.1 tpp -71.04 -46.93 61.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.704 0.764 . . . . 0.0 110.569 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 42' ' ' MET . 5.4 mm-40 -35.15 -58.09 0.55 Allowed 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.913 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 48' ' ' ILE . 35.6 m95 -72.73 -0.18 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 119.036 -0.506 . . . . 0.0 112.177 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' A' ' 42' ' ' MET . 41.6 m-20 -80.79 -9.7 59.79 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 119.986 -0.685 . . . . 0.0 111.378 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -98.82 -48.71 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.985 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -59.63 -39.06 83.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.003 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.651 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.32 -20.55 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.861 -179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.62 -41.24 27.46 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.251 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -37.97 68.56 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.159 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -79.78 -5.02 54.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.96 0.409 . . . . 0.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.94 -40.88 13.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.465 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.32 -24.26 25.95 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.54 -29.52 68.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 0.0 110.743 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.84 -20.78 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.939 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -78.85 -30.41 45.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 111.778 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -78.26 -33.56 49.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.23 -29.28 68.07 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.022 -0.671 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.07 -57.68 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.625 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -59.1 -32.77 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.696 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -83.24 -43.64 15.87 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.866 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.9 m -69.56 -43.87 72.04 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.213 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -82.54 100.61 10.22 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.368 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -99.73 145.27 27.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.328 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -126.95 141.3 51.83 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -157.58 -70.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.441 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -147.97 92.71 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.583 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.553 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.43 53.44 0.31 Allowed Glycine 0 C--N 1.335 0.521 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.0 mt -76.31 -32.62 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.52 . . . . 0.0 110.219 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.1 t -88.88 -47.09 15.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.557 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -43.39 -50.85 6.74 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.641 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -64.86 -41.01 96.03 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.734 -0.787 . . . . 0.0 110.557 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.27 -38.2 85.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.9 -31.19 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 10.9 m-20 -75.45 -24.12 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -50.05 65.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.72 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.3 mtt-85 -67.05 -38.54 86.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.022 0.439 . . . . 0.0 110.927 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -48.57 -24.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.126 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 30.2 mt -67.48 -63.57 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.88 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.25 -30.93 65.35 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.543 -175.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 40.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.349 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 2.5 pt20 -154.1 14.01 0.45 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.29 177.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -20.92 65.3 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.26 -41.95 19.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.275 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.6 -23.25 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.997 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -51.75 66.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -81.39 -41.62 21.67 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -37.23 75.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.705 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.6 m -68.8 -40.32 79.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.84 -36.03 51.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -82.63 -30.6 29.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.05 -35.24 91.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 pt -73.25 -28.48 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 121.271 0.558 . . . . 0.0 111.187 -178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -75.57 -56.58 4.55 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.859 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -65.15 -19.82 66.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.73 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' ARG . 25.4 tp -79.8 -61.0 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.078 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.75 -39.29 24.41 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.772 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.29 58.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.521 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' LEU . 20.6 ttm180 -65.3 -16.66 63.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.2 p -91.48 158.55 16.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.529 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.71 42.87 3.13 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -78.26 153.78 39.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -127.78 68.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.871 0.367 . . . . 0.0 110.427 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -113.23 174.33 15.73 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.84 120.96 3.26 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -118.41 -16.58 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.619 0.247 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 tpp -56.26 -51.22 68.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.782 0.801 . . . . 0.0 110.669 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -43.29 -78.87 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.989 -175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.668 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.6 m95 -55.87 -9.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -177.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -81.08 -9.78 59.77 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.368 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.72 -48.66 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 111.049 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.7 -38.96 83.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.668 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.43 -20.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.66 -41.17 27.47 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.216 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.5 -38.08 68.69 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.169 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.64 -5.0 54.18 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.91 -40.98 13.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.49 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.21 -24.33 26.11 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.47 -29.46 68.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.97 0.414 . . . . 0.0 110.77 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.9 -20.91 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.799 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -76.47 -29.54 56.92 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 m -80.56 -25.54 38.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.078 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' OG ' ' A' ' 62' ' ' SER . 10.8 tp -74.55 -32.62 62.49 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.22 -56.31 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.587 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.16 -28.44 69.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.742 -177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -90.89 -40.73 11.57 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.949 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 58' ' ' LEU . 39.1 m -68.03 -40.42 82.9 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.201 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.86 104.83 17.3 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.197 0.522 . . . . 0.0 110.279 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -94.97 145.14 25.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.357 178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -125.39 134.51 52.13 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.502 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -153.87 -72.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.498 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.39 96.79 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mmmt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.574 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.4 51.19 0.26 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.2 mt -78.76 -26.87 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.255 0.55 . . . . 0.0 110.308 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.7 t -92.06 -48.51 13.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.527 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -45.03 -58.96 2.84 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.701 -178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -52.86 -46.95 68.09 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.603 -179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -56.13 -46.59 79.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -70.96 -42.08 70.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -63.19 -30.32 71.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.603 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -41.18 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.464 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -80.47 -24.36 39.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.757 -178.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -85.49 -35.39 21.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.85 -41.64 64.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.154 -178.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.49 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 23.8 mt -47.84 -62.1 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.887 -178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.73 -26.64 63.47 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.572 -175.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 33.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.457 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 14' ' ' ILE . 1.7 pt20 -144.38 9.03 1.4 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.241 177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -20.82 65.25 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.039 0.447 . . . . 0.0 110.541 -179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -82.32 -41.93 19.44 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.04 -25.72 67.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.042 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -58.34 -39.29 79.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.753 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.37 -51.73 6.04 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.543 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -49.44 -49.67 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.4 m -53.34 -52.25 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.846 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -62.99 -39.31 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -79.6 -26.33 41.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -67.31 -42.93 89.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.6 pt -66.24 -29.72 47.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.195 0.521 . . . . 0.0 111.188 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -71.91 -47.67 50.98 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.829 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -72.17 -29.34 63.91 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.694 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 34' ' ' ARG . 50.0 tp -60.77 -71.31 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.133 179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.1 32.75 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.72 -7.83 1.76 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.562 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 21.4 ttm180 -78.98 -15.03 58.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.0 p -91.97 149.65 21.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.76 38.5 2.81 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.32 146.72 33.48 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -120.55 72.47 0.96 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.881 0.372 . . . . 0.0 110.457 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -122.57 157.23 17.19 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -112.19 119.38 4.99 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.8 t-105 -113.28 -20.85 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.599 0.238 . . . . 0.0 110.851 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' GLU . 15.9 tpp -54.68 -45.61 73.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 121.78 0.8 . . . . 0.0 110.652 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' MET . 3.6 mm-40 -41.88 -77.02 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.987 -175.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.654 ' O ' HG23 ' A' ' 48' ' ' ILE . 49.0 m95 -59.66 -7.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.196 -177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -81.25 -9.43 59.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 120.008 -0.677 . . . . 0.0 111.336 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -98.75 -48.64 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.03 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -59.74 -38.95 83.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 44' ' ' TRP . 4.2 pt -50.34 -20.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.64 -41.15 27.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.246 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -55.54 -38.03 68.73 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.836 -0.345 . . . . 0.0 111.103 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -79.66 -5.13 54.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.882 0.372 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.5 m -87.93 -40.98 13.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.444 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -86.18 -24.3 26.18 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.56 -29.36 68.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.938 0.399 . . . . 0.0 110.776 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 tt -93.96 -20.9 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.775 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -76.15 -29.56 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -81.38 -23.72 37.47 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.038 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -75.68 -34.93 60.47 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.815 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt -83.98 -58.47 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.552 -178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -58.19 -30.97 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.711 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.79 -25.89 22.0 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.903 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -85.44 -45.42 11.86 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.111 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -83.6 99.99 10.53 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.274 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.72 144.92 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.365 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -126.13 130.83 51.83 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -143.57 -69.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.2 98.59 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.523 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.453 -179.994 . . . . . . . . 0 0 . 1 stop_ save_