data_2l9i_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 2l9i _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.438 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.262 1.729 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 114.88 1.437 . . . . 10.0 114.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 124.208 1.956 . . . . 10.0 114.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 N--CA 1.417 -2.123 0 N-CA-C 114.701 1.371 . . . . 10.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.508 2.428 0 CA-C-O 118.63 -0.7 . . . . 10.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 CA--C 1.564 1.518 0 CA-C-O 117.796 -1.097 . . . . 10.0 112.758 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.521 0.2 . . . . 10.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 20' ' ' LYS . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 CA--C 1.569 1.675 0 CA-C-O 117.476 -1.25 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 . . . . . 0 CA--C 1.577 2.018 0 CA-C-O 119.553 -0.261 . . . . 10.0 111.585 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 . . . . . 0 N--CA 1.506 2.367 0 CA-C-O 118.895 -0.574 . . . . 10.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.353 -0.24 . . . . 10.0 110.353 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 116.012 -1.947 . . . . 10.0 115.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 23' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.501 2.121 0 N-CA-C 115.31 1.596 . . . . 10.0 115.31 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . . . . . . 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.021 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -60.06 -26.24 65.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.74 -17.33 64.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.043 0.937 . . . . 10.0 113.261 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.34 33.05 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.09 -26.88 20.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.803 1.241 . . . . 10.0 113.296 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.555 1.942 . . . . 10.0 112.988 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -75.5 -17.53 60.08 Favored 'General case' 0 N--CA 1.413 -2.308 0 O-C-N 127.096 2.748 . . . . 10.0 114.989 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.93 -25.33 68.29 Favored 'General case' 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.92 -20.12 42.78 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -88.53 -14.75 36.96 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 126.381 1.872 . . . . 10.0 113.348 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 C--O 1.268 2.069 0 N-CA-C 118.034 2.605 . . . . 10.0 118.034 -166.581 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.012 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -51.93 -48.04 64.42 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 123.624 1.678 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 -51.92 -8.12 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.87 68.85 Favored 'General case' 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.06 -22.94 20.5 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.872 2.175 . . . . 10.0 116.872 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 . . . . . 0 C--N 1.364 1.215 0 O-C-N 119.7 -1.875 . . . . 10.0 114.302 -176.832 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -136.15 20.46 3.21 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 127.049 2.14 . . . . 10.0 111.74 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -96.95 -25.56 15.36 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 125.764 1.625 . . . . 10.0 113.397 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.42 -22.39 26.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -82.63 -44.84 15.28 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 125.175 1.547 . . . . 10.0 111.153 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 C--O 1.275 2.421 1 C-N-CA 134.283 5.033 . . . . 10.0 116.309 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.806 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -70.88 -18.71 62.68 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -66.28 -17.42 64.74 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.183 2.193 . . . . 10.0 114.88 168.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.15 -36.26 83.69 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.04 -14.26 60.98 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 118.278 2.696 . . . . 10.0 118.278 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 CA--C 1.566 1.564 0 N-CA-C 118.572 2.805 . . . . 10.0 118.572 -167.459 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -73.35 -9.95 59.23 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.456 2.302 . . . . 10.0 113.016 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.83 -10.05 59.11 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.66 -27.61 63.18 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.86 -13.67 38.7 Favored 'General case' 1 N--CA 1.552 4.654 0 O-C-N 118.64 -2.537 . . . . 10.0 111.882 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 N--CA 1.421 -1.888 0 CA-C-N 120.26 1.391 . . . . 10.0 112.027 177.626 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -58.63 -7.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 120.026 3.343 . . . . 10.0 120.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.61 -14.64 45.36 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 126.516 2.385 . . . . 10.0 114.273 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.74 -16.25 48.69 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -77.63 -15.88 58.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.626 -1.297 . . . . 10.0 114.489 166.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--N 1.356 0.883 0 O-C-N 120.812 -1.18 . . . . 10.0 112.603 -172.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.942 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -67.57 -28.93 68.19 Favored 'General case' 0 N--CA 1.476 0.872 1 O-C-N 130.453 4.846 . . . . 10.0 110.833 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.76 -17.77 50.83 Favored 'General case' 0 N--CA 1.417 -2.123 0 O-C-N 125.067 1.48 . . . . 10.0 114.701 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.64 33.67 Favored 'General case' 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -84.87 -32.79 23.01 Favored 'General case' 0 CA--C 1.625 3.864 0 CA-C-O 123.78 1.752 . . . . 10.0 114.112 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 127.264 2.225 . . . . 10.0 116.188 172.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -55.58 -35.04 65.33 Favored 'General case' 0 C--O 1.26 1.633 0 C-N-CA 126.815 2.046 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.61 -15.44 14.98 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 124.418 1.087 . . . . 10.0 112.275 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.96 -15.6 62.6 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -83.09 -13.68 55.22 Favored 'General case' 0 CA--C 1.572 1.796 1 O-C-N 115.173 -4.704 . . . . 10.0 112.869 169.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.515 2.803 0 C-N-CA 128.71 2.804 . . . . 10.0 110.879 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -54.08 -39.79 66.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.13 -17.29 55.3 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.635 1.974 . . . . 10.0 112.758 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.67 -24.74 31.2 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.17 -14.05 48.15 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.781 -1.199 . . . . 10.0 111.157 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.691 1.997 . . . . 10.0 112.964 -172.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -111.21 -18.23 13.01 Favored 'General case' 0 C--O 1.296 3.549 0 O-C-N 117.596 -3.19 . . . . 10.0 107.261 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -68.77 -11.17 60.04 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.5 -24.2 29.5 Favored 'General case' 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -91.6 -18.13 24.51 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 127.017 2.127 . . . . 10.0 115.527 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.262 1.723 0 CA-C-O 112.648 -3.549 . . . . 10.0 110.769 176.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.185 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -64.39 -16.82 63.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.349 1.981 . . . . 10.0 116.349 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.7 -10.11 27.6 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 126.756 2.022 . . . . 10.0 111.252 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HA ' HG12 ' A' ' 23' ' ' VAL . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 20' ' ' LYS . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.05 66.46 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.23 -10.38 49.93 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-O 113.509 -3.139 . . . . 10.0 116.414 166.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 . . . . . 0 C--O 1.261 1.698 0 CA-C-N 124.185 3.175 . . . . 10.0 110.486 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.157 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -65.86 -50.46 64.45 Favored 'General case' 0 C--O 1.191 -1.988 0 C-N-CA 125.21 1.404 . . . . 10.0 108.199 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.51 -28.89 37.3 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 131.087 3.755 . . . . 10.0 111.56 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.44 79.82 Favored 'General case' 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.57 -22.77 64.46 Favored 'General case' 0 CA--C 1.511 -0.525 1 C-N-CA 133.117 4.567 . . . . 10.0 112.367 173.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 CA--C 1.469 -2.15 0 C-N-CA 126.855 2.062 . . . . 10.0 115.982 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -68.61 -16.37 63.83 Favored 'General case' 0 N--CA 1.519 3.018 0 O-C-N 118.571 -2.581 . . . . 10.0 112.146 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 -79.99 -9.12 59.66 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 118.256 -2.777 . . . . 10.0 114.438 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.04 63.09 Favored 'General case' 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -85.98 -20.42 28.92 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 127.508 2.323 . . . . 10.0 113.946 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 . . . . . 0 C--O 1.263 1.765 0 CA-C-O 113.294 -3.241 . . . . 10.0 113.141 -172.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.882 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.34 -15.2 11.59 Favored 'General case' 0 N--CA 1.433 -1.312 1 O-C-N 114.993 -4.817 . . . . 10.0 113.751 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.22 -17.39 64.71 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.74 63.82 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.85 -18.02 30.17 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.706 1.879 . . . . 10.0 114.536 -168.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 CA--C 1.599 2.829 0 C-N-CA 128.405 2.682 . . . . 10.0 114.254 172.633 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -58.58 -36.98 74.81 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 119.568 -1.957 . . . . 10.0 115.58 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 -64.23 -7.93 10.91 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 125.575 1.797 . . . . 10.0 111.585 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.55 81.62 Favored 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.43 3.9 tt0 -87.28 -11.5 49.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.603 2.446 . . . . 10.0 117.603 167.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 CA--C 1.58 2.128 0 CA-C-N 120.382 1.447 . . . . 10.0 110.948 174.365 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -80.43 -34.84 35.82 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -54.78 -12.72 0.84 Allowed 'General case' 0 N--CA 1.506 2.367 1 C-N-CA 131.765 4.026 . . . . 10.0 111.622 172.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.58 -25.27 63.9 Favored 'General case' 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.85 -14.46 47.87 Favored 'General case' 0 C--O 1.263 1.773 0 C-N-CA 126.788 2.035 . . . . 10.0 115.234 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 1 N--CA 1.541 4.08 0 C-N-CA 129.368 3.067 . . . . 10.0 114.906 -166.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.326 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -80.31 -1.03 39.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 115.174 -2.346 . . . . 10.0 114.798 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -83.61 -8.33 59.33 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 125.972 2.045 . . . . 10.0 110.353 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.08 64.77 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.94 -14.48 34.03 Favored 'General case' 0 C--O 1.174 -2.872 0 C-N-CA 129.889 3.275 . . . . 10.0 114.148 168.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 . . . . . 0 N--CA 1.428 -1.53 0 O-C-N 119.444 -2.035 . . . . 10.0 112.596 -172.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -66.03 -24.29 66.72 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.843 1.306 . . . . 10.0 113.952 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.15 -18.15 43.84 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 115.143 -4.723 . . . . 10.0 115.909 175.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HA ' HG11 ' A' ' 23' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.69 63.9 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.6 -40.06 66.81 Favored 'General case' 0 N--CA 1.518 2.972 0 CA-C-N 115.222 -0.899 . . . . 10.0 112.928 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.3 12.9 t30 . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 112.517 -2.128 . . . . 10.0 112.088 -172.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.811 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -62.62 -29.9 70.96 Favored 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 127.391 2.276 . . . . 10.0 107.971 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -100.79 -18.57 16.38 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 128.335 2.654 . . . . 10.0 115.31 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.07 75.22 Favored 'General case' 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.87 -27.61 44.08 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 117.648 -3.157 . . . . 10.0 113.019 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 128.175 2.59 . . . . 10.0 113.638 175.386 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.809 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -57.26 -36.54 71.11 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.703 1.716 . . . . 10.0 113.23 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.98 -14.6 61.47 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 29' ' ' ASN . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . -64.49 -32.33 73.91 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.68 -49.33 21.69 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 126.208 2.192 . . . . 10.0 109.913 170.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 37.4 t30 . . . . . 0 CA--C 1.487 -1.457 0 C-N-CA 128.322 2.649 . . . . 10.0 115.385 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' HG12 ' A' ' 24' ' ' VAL . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 23' ' ' VAL . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 21' ' ' LYS . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.262 1.729 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 114.88 1.437 . . . . 10.0 114.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 23' ' ' VAL . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 24' ' ' VAL . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 13' ' ' THR . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 24' ' ' VAL . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 124.208 1.956 . . . . 10.0 114.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 24' ' ' VAL . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 N--CA 1.417 -2.123 0 N-CA-C 114.701 1.371 . . . . 10.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.508 2.428 0 CA-C-O 118.63 -0.7 . . . . 10.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 CA--C 1.564 1.518 0 CA-C-O 117.796 -1.097 . . . . 10.0 112.758 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 24' ' ' VAL . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HA ' HG12 ' A' ' 23' ' ' VAL . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.521 0.2 . . . . 10.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 CA--C 1.569 1.675 0 CA-C-O 117.476 -1.25 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' HG12 ' A' ' 24' ' ' VAL . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 . . . . . 0 CA--C 1.577 2.018 0 CA-C-O 119.553 -0.261 . . . . 10.0 111.585 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 24' ' ' VAL . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 . . . . . 0 N--CA 1.506 2.367 0 CA-C-O 118.895 -0.574 . . . . 10.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.353 -0.24 . . . . 10.0 110.353 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 116.012 -1.947 . . . . 10.0 115.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 20' ' ' LYS 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.501 2.121 0 N-CA-C 115.31 1.596 . . . . 10.0 115.31 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 20' ' ' LYS . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . . . . . . 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.021 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -60.06 -26.24 65.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.74 -17.33 64.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.043 0.937 . . . . 10.0 113.261 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.34 33.05 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.09 -26.88 20.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.803 1.241 . . . . 10.0 113.296 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.555 1.942 . . . . 10.0 112.988 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -75.5 -17.53 60.08 Favored 'General case' 0 N--CA 1.413 -2.308 0 O-C-N 127.096 2.748 . . . . 10.0 114.989 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.93 -25.33 68.29 Favored 'General case' 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' HG12 ' A' ' 24' ' ' VAL . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.92 -20.12 42.78 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -88.53 -14.75 36.96 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 126.381 1.872 . . . . 10.0 113.348 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 C--O 1.268 2.069 0 N-CA-C 118.034 2.605 . . . . 10.0 118.034 -166.581 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.012 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -51.93 -48.04 64.42 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 123.624 1.678 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 -51.92 -8.12 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 23' ' ' VAL . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 21' ' ' LYS . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.87 68.85 Favored 'General case' 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.06 -22.94 20.5 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.872 2.175 . . . . 10.0 116.872 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 . . . . . 0 C--N 1.364 1.215 0 O-C-N 119.7 -1.875 . . . . 10.0 114.302 -176.832 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -136.15 20.46 3.21 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 127.049 2.14 . . . . 10.0 111.74 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -96.95 -25.56 15.36 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 125.764 1.625 . . . . 10.0 113.397 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.42 -22.39 26.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -82.63 -44.84 15.28 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 125.175 1.547 . . . . 10.0 111.153 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 C--O 1.275 2.421 1 C-N-CA 134.283 5.033 . . . . 10.0 116.309 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.806 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -70.88 -18.71 62.68 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -66.28 -17.42 64.74 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.183 2.193 . . . . 10.0 114.88 168.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 23' ' ' VAL . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 24' ' ' VAL . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.15 -36.26 83.69 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.04 -14.26 60.98 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 118.278 2.696 . . . . 10.0 118.278 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 CA--C 1.566 1.564 0 N-CA-C 118.572 2.805 . . . . 10.0 118.572 -167.459 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -73.35 -9.95 59.23 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.456 2.302 . . . . 10.0 113.016 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.83 -10.05 59.11 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 13' ' ' THR . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 24' ' ' VAL . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.66 -27.61 63.18 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.86 -13.67 38.7 Favored 'General case' 1 N--CA 1.552 4.654 0 O-C-N 118.64 -2.537 . . . . 10.0 111.882 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 N--CA 1.421 -1.888 0 CA-C-N 120.26 1.391 . . . . 10.0 112.027 177.626 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -58.63 -7.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 120.026 3.343 . . . . 10.0 120.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.61 -14.64 45.36 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 126.516 2.385 . . . . 10.0 114.273 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 24' ' ' VAL . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.74 -16.25 48.69 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -77.63 -15.88 58.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.626 -1.297 . . . . 10.0 114.489 166.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--N 1.356 0.883 0 O-C-N 120.812 -1.18 . . . . 10.0 112.603 -172.179 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.942 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -67.57 -28.93 68.19 Favored 'General case' 0 N--CA 1.476 0.872 1 O-C-N 130.453 4.846 . . . . 10.0 110.833 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.76 -17.77 50.83 Favored 'General case' 0 N--CA 1.417 -2.123 0 O-C-N 125.067 1.48 . . . . 10.0 114.701 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.64 33.67 Favored 'General case' 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -84.87 -32.79 23.01 Favored 'General case' 0 CA--C 1.625 3.864 0 CA-C-O 123.78 1.752 . . . . 10.0 114.112 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 127.264 2.225 . . . . 10.0 116.188 172.825 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -55.58 -35.04 65.33 Favored 'General case' 0 C--O 1.26 1.633 0 C-N-CA 126.815 2.046 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.61 -15.44 14.98 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 124.418 1.087 . . . . 10.0 112.275 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.96 -15.6 62.6 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -83.09 -13.68 55.22 Favored 'General case' 0 CA--C 1.572 1.796 1 O-C-N 115.173 -4.704 . . . . 10.0 112.869 169.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 N--CA 1.515 2.803 0 C-N-CA 128.71 2.804 . . . . 10.0 110.879 177.812 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -54.08 -39.79 66.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.13 -17.29 55.3 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.635 1.974 . . . . 10.0 112.758 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 24' ' ' VAL . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.67 -24.74 31.2 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.17 -14.05 48.15 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.781 -1.199 . . . . 10.0 111.157 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.691 1.997 . . . . 10.0 112.964 -172.768 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -111.21 -18.23 13.01 Favored 'General case' 0 C--O 1.296 3.549 0 O-C-N 117.596 -3.19 . . . . 10.0 107.261 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -68.77 -11.17 60.04 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HA ' HG12 ' A' ' 23' ' ' VAL . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . . . -84.5 -24.2 29.5 Favored 'General case' 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -91.6 -18.13 24.51 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 127.017 2.127 . . . . 10.0 115.527 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.262 1.723 0 CA-C-O 112.648 -3.549 . . . . 10.0 110.769 176.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.185 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -64.39 -16.82 63.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.349 1.981 . . . . 10.0 116.349 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.7 -10.11 27.6 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 126.756 2.022 . . . . 10.0 111.252 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.05 66.46 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.23 -10.38 49.93 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-O 113.509 -3.139 . . . . 10.0 116.414 166.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 . . . . . 0 C--O 1.261 1.698 0 CA-C-N 124.185 3.175 . . . . 10.0 110.486 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.157 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -65.86 -50.46 64.45 Favored 'General case' 0 C--O 1.191 -1.988 0 C-N-CA 125.21 1.404 . . . . 10.0 108.199 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.51 -28.89 37.3 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 131.087 3.755 . . . . 10.0 111.56 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.44 79.82 Favored 'General case' 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.57 -22.77 64.46 Favored 'General case' 0 CA--C 1.511 -0.525 1 C-N-CA 133.117 4.567 . . . . 10.0 112.367 173.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 CA--C 1.469 -2.15 0 C-N-CA 126.855 2.062 . . . . 10.0 115.982 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -68.61 -16.37 63.83 Favored 'General case' 0 N--CA 1.519 3.018 0 O-C-N 118.571 -2.581 . . . . 10.0 112.146 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 -79.99 -9.12 59.66 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 118.256 -2.777 . . . . 10.0 114.438 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' HG12 ' A' ' 24' ' ' VAL . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.04 63.09 Favored 'General case' 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -85.98 -20.42 28.92 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 127.508 2.323 . . . . 10.0 113.946 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 . . . . . 0 C--O 1.263 1.765 0 CA-C-O 113.294 -3.241 . . . . 10.0 113.141 -172.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.882 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.34 -15.2 11.59 Favored 'General case' 0 N--CA 1.433 -1.312 1 O-C-N 114.993 -4.817 . . . . 10.0 113.751 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.22 -17.39 64.71 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.74 63.82 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.85 -18.02 30.17 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.706 1.879 . . . . 10.0 114.536 -168.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 CA--C 1.599 2.829 0 C-N-CA 128.405 2.682 . . . . 10.0 114.254 172.633 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -58.58 -36.98 74.81 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 119.568 -1.957 . . . . 10.0 115.58 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 -64.23 -7.93 10.91 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 125.575 1.797 . . . . 10.0 111.585 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 24' ' ' VAL . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.55 81.62 Favored 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.43 3.9 tt0 -87.28 -11.5 49.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.603 2.446 . . . . 10.0 117.603 167.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 CA--C 1.58 2.128 0 CA-C-N 120.382 1.447 . . . . 10.0 110.948 174.365 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -80.43 -34.84 35.82 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -54.78 -12.72 0.84 Allowed 'General case' 0 N--CA 1.506 2.367 1 C-N-CA 131.765 4.026 . . . . 10.0 111.622 172.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.58 -25.27 63.9 Favored 'General case' 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.85 -14.46 47.87 Favored 'General case' 0 C--O 1.263 1.773 0 C-N-CA 126.788 2.035 . . . . 10.0 115.234 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 1 N--CA 1.541 4.08 0 C-N-CA 129.368 3.067 . . . . 10.0 114.906 -166.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.326 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -80.31 -1.03 39.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 115.174 -2.346 . . . . 10.0 114.798 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -83.61 -8.33 59.33 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 125.972 2.045 . . . . 10.0 110.353 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.08 64.77 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.94 -14.48 34.03 Favored 'General case' 0 C--O 1.174 -2.872 0 C-N-CA 129.889 3.275 . . . . 10.0 114.148 168.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 . . . . . 0 N--CA 1.428 -1.53 0 O-C-N 119.444 -2.035 . . . . 10.0 112.596 -172.927 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -66.03 -24.29 66.72 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.843 1.306 . . . . 10.0 113.952 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.15 -18.15 43.84 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 115.143 -4.723 . . . . 10.0 115.909 175.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 20' ' ' LYS 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.69 63.9 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.6 -40.06 66.81 Favored 'General case' 0 N--CA 1.518 2.972 0 CA-C-N 115.222 -0.899 . . . . 10.0 112.928 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.3 12.9 t30 . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 112.517 -2.128 . . . . 10.0 112.088 -172.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.811 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -62.62 -29.9 70.96 Favored 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 127.391 2.276 . . . . 10.0 107.971 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -100.79 -18.57 16.38 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 128.335 2.654 . . . . 10.0 115.31 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 20' ' ' LYS . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.07 75.22 Favored 'General case' 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.87 -27.61 44.08 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 117.648 -3.157 . . . . 10.0 113.019 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 128.175 2.59 . . . . 10.0 113.638 175.386 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.809 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -57.26 -36.54 71.11 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.703 1.716 . . . . 10.0 113.23 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.98 -14.6 61.47 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 29' ' ' ASN . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . -64.49 -32.33 73.91 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.68 -49.33 21.69 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 126.208 2.192 . . . . 10.0 109.913 170.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 37.4 t30 . . . . . 0 CA--C 1.487 -1.457 0 C-N-CA 128.322 2.649 . . . . 10.0 115.385 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t0 . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 113.261 0.838 . . . . 10.0 113.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' HG12 ' A' ' 24' ' ' VAL . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 23' ' ' VAL . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 21' ' ' LYS . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.262 1.729 0 N-CA-C 113.397 0.888 . . . . 10.0 113.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 114.88 1.437 . . . . 10.0 114.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 23' ' ' VAL . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 24' ' ' VAL . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 13' ' ' THR . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 24' ' ' VAL . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 124.208 1.956 . . . . 10.0 114.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 24' ' ' VAL . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 N--CA 1.417 -2.123 0 N-CA-C 114.701 1.371 . . . . 10.0 114.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.508 2.428 0 CA-C-O 118.63 -0.7 . . . . 10.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 CA--C 1.564 1.518 0 CA-C-O 117.796 -1.097 . . . . 10.0 112.758 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 24' ' ' VAL . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 . . . . . 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HA ' HG12 ' A' ' 23' ' ' VAL . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 120.521 0.2 . . . . 10.0 111.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 . . . . . 0 CA--C 1.569 1.675 0 CA-C-O 117.476 -1.25 . . . . 10.0 111.56 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 114.438 1.273 . . . . 10.0 114.438 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' HG12 ' A' ' 24' ' ' VAL . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 . . . . . 0 CA--C 1.577 2.018 0 CA-C-O 119.553 -0.261 . . . . 10.0 111.585 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 24' ' ' VAL . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 . . . . . 0 N--CA 1.506 2.367 0 CA-C-O 118.895 -0.574 . . . . 10.0 111.622 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 110.353 -0.24 . . . . 10.0 110.353 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 116.012 -1.947 . . . . 10.0 115.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 20' ' ' LYS 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 N--CA 1.501 2.121 0 N-CA-C 115.31 1.596 . . . . 10.0 115.31 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 20' ' ' LYS . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . . . . . . 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.021 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -60.06 -26.24 65.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 10.0 114.182 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -67.74 -17.33 64.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.043 0.937 . . . . 10.0 113.261 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.16 -29.13 70.54 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 120.679 -1.263 . . . . 10.0 112.631 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.71 -9.49 58.63 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.197 0.999 . . . . 10.0 113.363 173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.34 16.59 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.997 2.119 . . . . 10.0 111.104 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.57 40.33 31.08 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.499 1.92 . . . . 10.0 113.541 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m 56.13 67.44 1.0 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.6 1.96 . . . . 10.0 112.426 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -61.36 -20.67 63.25 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.2 m -58.2 -19.4 33.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.239 1.416 . . . . 10.0 114.505 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -86.92 -39.58 15.63 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.432 0.901 . . . . 10.0 113.432 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.7 pt -90.26 -14.78 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 115.818 1.785 . . . . 10.0 115.818 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 t -46.87 -28.7 1.67 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.857 1.799 . . . . 10.0 115.857 -175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 m -68.03 -37.65 81.63 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 119.804 -1.81 . . . . 10.0 112.466 173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.83 -39.5 94.37 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.94 0.896 . . . . 10.0 110.764 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.92 -34.56 77.7 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 122.864 0.466 . . . . 10.0 112.154 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.2 mt -80.78 -27.32 36.72 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 120.129 -1.607 . . . . 10.0 112.553 -175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.04 -25.46 66.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.472 0.578 . . . . 10.0 110.874 166.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -67.19 -50.45 60.92 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 167.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -65.97 -18.52 65.39 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.533 1.308 . . . . 10.0 114.533 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -90.42 -24.86 20.63 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.235 2.214 . . . . 10.0 113.648 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -90.28 -50.27 6.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.154 1.381 . . . . 10.0 109.125 -176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -53.16 -36.42 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 C-N-CA 124.217 1.007 . . . . 10.0 110.15 168.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.255 0.6 OUTLIER -83.49 -33.15 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 C-N-CA 117.973 -1.491 . . . . 10.0 113.446 -174.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.31 -38.0 88.85 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.207 -0.933 . . . . 10.0 111.519 169.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.75 -16.72 64.26 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.774 1.027 . . . . 10.0 113.774 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.27 -22.34 33.05 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.722 0.809 . . . . 10.0 112.815 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -90.09 -26.88 20.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.803 1.241 . . . . 10.0 113.296 173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--O 1.255 1.344 0 C-N-CA 126.555 1.942 . . . . 10.0 112.988 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 p -75.5 -17.53 60.08 Favored 'General case' 0 N--CA 1.413 -2.308 0 O-C-N 127.096 2.748 . . . . 10.0 114.989 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.93 -25.33 68.29 Favored 'General case' 0 C--O 1.255 1.354 1 N-CA-C 122.697 4.332 . . . . 10.0 122.697 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.61 -45.84 66.75 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.419 165.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -6.63 1.41 Allowed 'General case' 0 CA--C 1.61 3.254 0 O-C-N 126.532 2.395 . . . . 10.0 115.791 171.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -122.01 11.74 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.328 0 O-C-N 117.62 -3.175 . . . . 10.0 114.232 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 60.58 47.96 7.9 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 127.045 2.138 . . . . 10.0 116.35 -168.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.366 0.4 OUTLIER 45.8 56.31 6.06 Favored 'General case' 0 C--N 1.291 -1.961 1 C-N-CA 132.446 4.298 . . . . 10.0 110.593 -175.665 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 12' ' ' ILE . 12.4 p -44.82 -24.37 0.2 Allowed 'General case' 0 N--CA 1.518 2.954 0 N-CA-C 120.001 3.334 . . . . 10.0 120.001 171.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -70.03 2.04 3.98 Favored 'General case' 0 C--O 1.289 3.177 0 CA-C-N 122.537 2.426 . . . . 10.0 113.594 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -91.75 -44.98 8.67 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 127.428 2.291 . . . . 10.0 109.057 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' HA ' ' A' ' 9' ' ' SER 0.25 8.9 pt -91.25 -14.29 8.73 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 N-CA-C 116.34 1.978 . . . . 10.0 116.34 -167.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -46.61 -21.73 0.22 Allowed 'General case' 0 C--O 1.199 -1.589 0 N-CA-C 117.88 2.548 . . . . 10.0 117.88 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 m -68.21 -38.71 82.23 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 117.405 -1.718 . . . . 10.0 107.736 177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -57.59 -55.3 36.68 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 123.965 1.841 . . . . 10.0 109.515 173.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.25 -24.19 6.92 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 118.256 -2.777 . . . . 10.0 113.67 172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 20.0 mt -87.77 -28.08 21.92 Favored 'General case' 0 C--O 1.167 -3.274 0 O-C-N 118.334 -2.729 . . . . 10.0 113.936 178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -76.65 -18.65 58.46 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 118.723 -2.485 . . . . 10.0 109.354 168.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -72.54 -51.17 21.05 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 118.035 -2.916 . . . . 10.0 108.121 168.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.5 mmtm -55.11 -23.97 23.55 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 115.418 1.636 . . . . 10.0 115.418 169.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HA ' HG12 ' A' ' 24' ' ' VAL . 69.9 mmtt -82.93 -32.67 27.09 Favored 'General case' 0 C--N 1.375 1.675 0 CA-C-N 120.015 1.28 . . . . 10.0 113.009 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.87 -39.35 30.73 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 124.956 1.302 . . . . 10.0 111.749 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -62.62 -44.58 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.173 0 C-N-CA 128.837 2.855 . . . . 10.0 113.816 168.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -79.08 -37.15 19.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-O 123.524 1.631 . . . . 10.0 114.415 -175.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.81 -34.27 66.75 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-O 113.042 -3.361 . . . . 10.0 112.743 173.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -75.17 -21.35 58.82 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 122.545 2.43 . . . . 10.0 113.618 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.92 -20.12 42.78 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.803 -1.089 . . . . 10.0 109.513 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -88.53 -14.75 36.96 Favored 'General case' 0 N--CA 1.495 1.825 0 C-N-CA 126.381 1.872 . . . . 10.0 113.348 175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 . . . . . 0 C--O 1.268 2.069 0 N-CA-C 118.034 2.605 . . . . 10.0 118.034 -166.581 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.191 -2.012 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -51.93 -48.04 64.42 Favored 'General case' 0 CA--C 1.479 -1.757 0 CA-C-O 123.624 1.678 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.262 15.9 t0 -51.92 -8.12 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 116.975 2.213 . . . . 10.0 116.975 174.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.85 79.15 Favored 'General case' 0 CA--C 1.565 1.523 0 O-C-N 118.397 -2.689 . . . . 10.0 108.776 169.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.85 -18.6 62.7 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.26 1.024 . . . . 10.0 113.544 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.13 6.3 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 C-N-CA 127.316 2.246 . . . . 10.0 109.734 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.2 t0 59.35 50.78 7.34 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 118.493 2.775 . . . . 10.0 118.493 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.317 4.6 m 56.16 49.57 15.2 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 119.568 -1.958 . . . . 10.0 111.254 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 p -68.41 -23.13 64.6 Favored 'General case' 0 C--O 1.275 2.418 0 O-C-N 118.052 -2.905 . . . . 10.0 109.307 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 m -74.05 -17.15 61.0 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 109.006 -0.739 . . . . 10.0 109.006 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -86.42 -40.24 15.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 119.134 -2.229 . . . . 10.0 111.066 168.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 pt -83.68 -16.76 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 1 O-C-N 115.44 -4.538 . . . . 10.0 115.576 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 t -45.05 -35.57 3.06 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 116.185 1.92 . . . . 10.0 116.185 -170.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 m -50.63 -47.67 58.36 Favored 'General case' 0 N--CA 1.508 2.433 0 CA-C-N 122.343 2.338 . . . . 10.0 114.436 170.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -50.09 -58.44 5.52 Favored 'General case' 0 CA--C 1.587 2.39 1 C-N-CA 131.873 4.069 . . . . 10.0 104.934 175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.15 -33.05 57.0 Favored 'General case' 0 CA--C 1.622 3.743 0 CA-C-N 113.502 -1.681 . . . . 10.0 115.075 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -81.84 -35.94 28.84 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 117.911 -2.993 . . . . 10.0 110.178 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.68 -20.64 63.56 Favored 'General case' 0 CA--C 1.453 -2.767 0 CA-C-O 115.802 -2.047 . . . . 10.0 111.717 167.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.316 15.0 tt0 -75.99 -37.3 58.65 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 121.639 2.018 . . . . 10.0 112.861 165.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 23' ' ' VAL . 6.4 mmtm -59.83 -32.05 70.3 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 118.924 -2.36 . . . . 10.0 115.964 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HA ' HG12 ' A' ' 24' ' ' VAL . 68.0 mttm -73.21 -29.16 62.61 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 130.592 3.557 . . . . 10.0 116.675 164.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -86.95 -59.98 2.11 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 105.174 -2.158 . . . . 10.0 105.174 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -41.37 -37.81 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.327 0 CA-C-O 113.275 -3.25 . . . . 10.0 112.157 163.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 21' ' ' LYS . 2.0 p -93.35 -18.03 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.311 0 CA-C-N 124.814 3.461 . . . . 10.0 113.951 -172.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -83.86 -26.99 29.0 Favored 'General case' 0 N--CA 1.522 3.136 0 CA-C-O 114.843 -2.503 . . . . 10.0 113.596 166.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -79.04 -23.32 44.36 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 129.679 3.191 . . . . 10.0 110.082 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.4 -27.87 68.85 Favored 'General case' 0 C--N 1.394 2.53 0 O-C-N 124.863 1.352 . . . . 10.0 110.767 165.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.06 -22.94 20.5 Favored 'General case' 0 N--CA 1.508 2.475 0 N-CA-C 116.872 2.175 . . . . 10.0 116.872 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 . . . . . 0 C--N 1.364 1.215 0 O-C-N 119.7 -1.875 . . . . 10.0 114.302 -176.832 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -136.15 20.46 3.21 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 127.049 2.14 . . . . 10.0 111.74 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -96.95 -25.56 15.36 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 125.764 1.625 . . . . 10.0 113.397 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.64 -24.16 67.68 Favored 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.639 -1.913 . . . . 10.0 110.884 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.06 -20.7 59.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.984 2.114 . . . . 10.0 109.85 172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t -100.58 17.59 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.555 0 N-CA-C 114.555 1.317 . . . . 10.0 114.555 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 8.6 t70 48.16 49.35 17.63 Favored 'General case' 0 C--O 1.273 2.341 0 C-N-CA 131.014 3.725 . . . . 10.0 115.407 -171.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m 58.56 54.91 5.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 118.65 -2.531 . . . . 10.0 110.495 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.4 p -66.31 -17.37 64.72 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 111.405 -2.634 . . . . 10.0 108.654 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.347 20.3 m -57.06 -26.2 59.96 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 118.894 -2.379 . . . . 10.0 117.337 167.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.72 -38.89 70.42 Favored 'General case' 0 C--N 1.364 1.196 0 O-C-N 119.545 -1.972 . . . . 10.0 115.837 168.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -93.5 -13.29 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.075 0 C-N-CA 128.808 2.843 . . . . 10.0 113.978 -172.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -51.57 -24.95 5.97 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 117.641 2.46 . . . . 10.0 117.641 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.7 m -66.78 -32.74 74.23 Favored 'General case' 0 C--O 1.177 -2.754 0 C-N-CA 117.342 -1.743 . . . . 10.0 111.366 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.02 -46.44 71.2 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 120.801 1.637 . . . . 10.0 111.301 176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.36 -39.94 73.71 Favored 'General case' 0 C--O 1.202 -1.426 0 O-C-N 127.901 3.251 . . . . 10.0 113.674 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.298 44.1 mt -80.95 -29.18 35.47 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 122.524 2.42 . . . . 10.0 112.215 -175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -66.07 -20.74 66.26 Favored 'General case' 0 C--O 1.184 -2.388 0 O-C-N 119.107 -2.246 . . . . 10.0 112.704 166.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -73.65 -56.8 4.54 Favored 'General case' 0 N--CA 1.416 -2.131 0 N-CA-C 101.407 -3.553 . . . . 10.0 101.407 170.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -67.88 -13.35 62.08 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-N 123.479 2.854 . . . . 10.0 109.228 -168.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -91.88 -22.51 20.04 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.644 2.02 . . . . 10.0 112.588 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -92.91 -53.41 4.17 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 106.249 -1.76 . . . . 10.0 106.249 -177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.62 -34.61 8.82 Favored 'Isoleucine or valine' 0 C--O 1.177 -2.712 0 O-C-N 126.541 2.401 . . . . 10.0 112.801 171.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.455 0.3 OUTLIER -78.84 -36.44 19.06 Favored 'Isoleucine or valine' 1 CA--C 1.631 4.09 0 CA-C-N 121.003 1.729 . . . . 10.0 113.861 179.538 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.86 -32.06 67.11 Favored 'General case' 0 C--N 1.26 -3.303 0 CA-C-N 120.334 1.424 . . . . 10.0 108.423 175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -71.02 -18.84 62.57 Favored 'General case' 0 N--CA 1.518 2.973 0 N-CA-C 115.881 1.808 . . . . 10.0 115.881 172.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.42 -22.39 26.57 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.018 1.858 . . . . 10.0 116.018 166.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -82.63 -44.84 15.28 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 125.175 1.547 . . . . 10.0 111.153 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 . . . . . 0 C--O 1.275 2.421 1 C-N-CA 134.283 5.033 . . . . 10.0 116.309 173.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.806 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -70.88 -18.71 62.68 Favored 'General case' 0 N--CA 1.422 -1.864 0 N-CA-C 115.949 1.833 . . . . 10.0 115.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -66.28 -17.42 64.74 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.183 2.193 . . . . 10.0 114.88 168.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.7 35.34 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 118.221 -2.799 . . . . 10.0 113.832 -171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.0 10.98 1.59 Allowed 'General case' 0 CA--C 1.588 2.425 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 163.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 t -135.65 14.16 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.894 0 C-N-CA 129.07 2.948 . . . . 10.0 117.699 169.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.313 24.0 t0 50.8 48.1 23.43 Favored 'General case' 0 C--O 1.264 1.841 0 CA-C-N 110.555 -3.021 . . . . 10.0 118.743 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.372 40.1 m 65.41 45.37 2.85 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.373 -1.454 . . . . 10.0 114.432 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.1 p -70.57 -8.46 51.63 Favored 'General case' 0 N--CA 1.522 3.132 0 CA-C-O 123.292 1.52 . . . . 10.0 113.371 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -65.01 -25.16 67.73 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 118.222 -2.799 . . . . 10.0 108.165 167.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -95.55 -13.22 24.63 Favored 'General case' 0 N--CA 1.525 3.276 0 N-CA-C 117.052 2.241 . . . . 10.0 117.052 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 pt -94.63 -16.25 7.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.348 0 N-CA-C 115.08 1.511 . . . . 10.0 115.08 171.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.294 12.7 t -50.08 -27.56 5.82 Favored 'General case' 0 C--N 1.283 -2.292 0 N-CA-C 119.97 3.322 . . . . 10.0 119.97 -171.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -82.79 -33.19 27.35 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 117.805 -1.558 . . . . 10.0 111.2 175.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . 0.335 14.4 mttt -57.45 -49.56 75.88 Favored 'General case' 0 C--N 1.293 -1.858 0 C-N-CA 130.034 3.333 . . . . 10.0 113.359 165.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -63.39 -32.11 73.45 Favored 'General case' 0 C--O 1.191 -1.974 0 C-N-CA 126.268 1.827 . . . . 10.0 109.024 171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.8 mt -81.66 -15.46 54.48 Favored 'General case' 0 C--N 1.397 2.66 0 O-C-N 117.031 -3.543 . . . . 10.0 118.005 -175.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -29.19 65.31 Favored 'General case' 0 CA--C 1.494 -1.201 0 C-N-CA 126.489 1.915 . . . . 10.0 110.269 166.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -72.23 -44.13 63.37 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 126.949 2.656 . . . . 10.0 109.831 173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 23' ' ' VAL . 29.6 mmtm -68.52 -17.53 64.18 Favored 'General case' 0 C--N 1.291 -1.955 0 C-N-CA 128.576 2.75 . . . . 10.0 112.141 -177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 24' ' ' VAL . 73.5 mttt -92.48 -26.12 18.11 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.938 2.895 . . . . 10.0 112.573 174.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.42 -49.26 7.34 Favored 'General case' 0 N--CA 1.523 3.205 0 C-N-CA 127.44 2.296 . . . . 10.0 108.163 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.1 p -54.89 -30.15 22.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.133 0 C-N-CA 128.017 2.527 . . . . 10.0 110.323 171.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -95.48 -26.78 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 N-CA-C 117.133 2.271 . . . . 10.0 117.133 -177.03 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.11 -42.86 65.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 116.98 2.215 . . . . 10.0 116.98 164.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -52.81 -30.7 34.75 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 116.118 1.896 . . . . 10.0 116.118 169.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.15 -36.26 83.69 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 115.751 1.76 . . . . 10.0 115.751 171.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.04 -14.26 60.98 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 118.278 2.696 . . . . 10.0 118.278 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 CA--C 1.566 1.564 0 N-CA-C 118.572 2.805 . . . . 10.0 118.572 -167.459 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -73.35 -9.95 59.23 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.456 2.302 . . . . 10.0 113.016 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -76.83 -10.05 59.11 Favored 'General case' 0 C--O 1.249 1.043 0 CA-C-O 122.734 1.254 . . . . 10.0 111.802 170.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.39 -26.75 58.7 Favored 'General case' 0 N--CA 1.494 1.757 1 O-C-N 114.898 -4.876 . . . . 10.0 111.642 -175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.43 -27.88 63.59 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 126.816 2.573 . . . . 10.0 113.797 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.281 2.1 t -81.51 7.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 123.237 1.494 . . . . 10.0 111.836 165.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t0 51.22 52.65 14.45 Favored 'General case' 0 N--CA 1.507 2.425 0 C-N-CA 127.424 2.29 . . . . 10.0 114.578 -165.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m 55.85 71.19 0.57 Allowed 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 129.802 3.241 . . . . 10.0 107.948 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.5 p -63.05 -12.5 26.85 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -51.88 -34.39 40.87 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 115.592 1.701 . . . . 10.0 115.592 174.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.78 -35.3 78.43 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 117.754 2.502 . . . . 10.0 117.754 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.352 9.6 pt -94.72 -23.26 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 118.474 2.768 . . . . 10.0 118.474 -175.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 13' ' ' THR . 1.2 t -52.49 -24.72 8.52 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 115.329 -2.272 . . . . 10.0 114.02 -168.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -61.81 -36.55 81.48 Favored 'General case' 0 N--CA 1.508 2.429 0 CA-C-N 122.651 2.478 . . . . 10.0 111.688 174.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -51.58 -45.96 63.32 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.586 1.554 . . . . 10.0 109.608 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.273 5.6 t70 -72.47 -24.4 61.18 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 121.062 1.755 . . . . 10.0 110.403 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.8 mt -88.65 -27.05 21.55 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 118.5 -2.625 . . . . 10.0 114.717 -172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -30.93 71.02 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 118.717 -2.489 . . . . 10.0 105.353 163.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.97 -52.49 60.51 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.375 2.297 . . . . 10.0 114.043 165.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -65.95 -23.45 66.61 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 115.442 -2.218 . . . . 10.0 111.383 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 24' ' ' VAL . 66.0 mmtt -91.32 -18.78 23.77 Favored 'General case' 0 C--O 1.268 2.053 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -86.09 -54.7 4.32 Favored 'General case' 0 N--CA 1.39 -3.45 0 CA-C-O 112.339 -3.696 . . . . 10.0 104.525 -177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.272 3.5 p -47.67 -43.44 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.393 0 O-C-N 126.199 2.187 . . . . 10.0 107.91 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -76.76 -33.64 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.998 0 O-C-N 120.801 -1.187 . . . . 10.0 112.506 -168.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -79.79 -15.99 56.4 Favored 'General case' 0 C--O 1.288 3.093 0 O-C-N 120.685 -1.259 . . . . 10.0 113.766 172.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -82.88 -32.33 27.44 Favored 'General case' 1 C--O 1.324 4.988 0 O-C-N 125.154 1.534 . . . . 10.0 112.389 165.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.66 -27.61 63.18 Favored 'General case' 0 C--O 1.26 1.645 0 C-N-CA 128.175 2.59 . . . . 10.0 108.122 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -88.86 -13.67 38.7 Favored 'General case' 1 N--CA 1.552 4.654 0 O-C-N 118.64 -2.537 . . . . 10.0 111.882 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 t30 . . . . . 0 N--CA 1.421 -1.888 0 CA-C-N 120.26 1.391 . . . . 10.0 112.027 177.626 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.025 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -58.63 -7.2 0.89 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 120.026 3.343 . . . . 10.0 120.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.61 -14.64 45.36 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 126.516 2.385 . . . . 10.0 114.273 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.97 -34.85 78.39 Favored 'General case' 1 N--CA 1.377 -4.113 0 N-CA-C 117.522 2.416 . . . . 10.0 117.522 171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.2 -16.49 64.33 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.02 -2.3 . . . . 10.0 110.627 173.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.03 20.45 4.34 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 129.953 3.301 . . . . 10.0 112.724 173.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.408 33.3 t70 62.78 35.95 13.49 Favored 'General case' 0 CA--C 1.579 2.063 0 O-C-N 116.955 -3.59 . . . . 10.0 114.679 163.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.26 21.5 m 69.77 55.69 0.34 Allowed 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 115.265 -2.302 . . . . 10.0 108.901 -174.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -68.12 -17.01 64.24 Favored 'General case' 0 C--N 1.366 1.309 0 C-N-CA 115.181 -2.608 . . . . 10.0 116.669 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -54.37 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.379 1.865 0 O-C-N 128.405 3.565 . . . . 10.0 117.184 164.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.27 -51.84 12.31 Favored 'General case' 0 C--O 1.274 2.345 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 174.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 pt -93.36 -15.4 7.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 C-N-CA 130.297 3.439 . . . . 10.0 116.341 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 t -37.81 -34.44 0.11 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 128.069 2.548 . . . . 10.0 112.178 -170.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 m -71.58 -42.45 67.74 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-N 124.003 3.092 . . . . 10.0 112.329 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -47.59 -48.1 28.3 Favored 'General case' 0 CA--C 1.475 -1.911 0 O-C-N 118.722 -2.486 . . . . 10.0 112.319 163.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 4.4 t70 -69.4 -28.04 65.82 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 125.659 1.849 . . . . 10.0 109.708 -176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -91.98 -19.57 22.27 Favored 'General case' 0 N--CA 1.518 2.957 0 CA-C-N 122.182 2.264 . . . . 10.0 108.691 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.06 -38.15 82.09 Favored 'General case' 0 C--N 1.374 1.65 0 CA-C-N 121.625 2.011 . . . . 10.0 107.494 169.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' ASP . 22.0 tt0 -62.92 -57.14 11.8 Favored 'General case' 0 C--O 1.292 3.341 0 O-C-N 128.432 3.583 . . . . 10.0 106.953 174.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -59.42 -20.43 54.94 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 121.401 -0.812 . . . . 10.0 112.193 -171.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HA ' HG12 ' A' ' 24' ' ' VAL . 40.2 mttm -93.13 -22.89 18.81 Favored 'General case' 0 N--CA 1.506 2.342 1 C-N-CA 134.408 5.083 . . . . 10.0 113.824 176.349 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -82.16 -60.9 2.06 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 131.475 3.91 . . . . 10.0 107.577 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -39.19 11.58 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.459 0 CA-C-O 126.354 2.978 . . . . 10.0 116.257 168.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.298 0.3 OUTLIER -86.47 -15.71 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 118.607 -2.558 . . . . 10.0 116.536 179.422 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -84.15 -24.32 30.25 Favored 'General case' 0 CA--C 1.58 2.105 0 CA-C-N 122.805 2.548 . . . . 10.0 110.717 171.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -68.88 -45.51 70.79 Favored 'General case' 0 C--O 1.263 1.8 0 O-C-N 120.143 -1.598 . . . . 10.0 106.824 166.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.74 -16.25 48.69 Favored 'General case' 0 C--O 1.185 -2.331 0 C-N-CA 118.238 -1.385 . . . . 10.0 114.565 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -77.63 -15.88 58.92 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.626 -1.297 . . . . 10.0 114.489 166.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--N 1.356 0.883 0 O-C-N 120.812 -1.18 . . . . 10.0 112.603 -172.179 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.942 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -67.57 -28.93 68.19 Favored 'General case' 0 N--CA 1.476 0.872 1 O-C-N 130.453 4.846 . . . . 10.0 110.833 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.76 -17.77 50.83 Favored 'General case' 0 N--CA 1.417 -2.123 0 O-C-N 125.067 1.48 . . . . 10.0 114.701 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.06 -37.67 67.04 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 117.225 -1.369 . . . . 10.0 113.37 170.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.67 -9.61 55.0 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.22 2.304 . . . . 10.0 117.22 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.28 13.08 8.61 Favored 'Isoleucine or valine' 0 C--O 1.276 2.473 0 O-C-N 125.032 1.458 . . . . 10.0 109.893 173.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.539 23.6 t70 63.2 31.54 15.53 Favored 'General case' 0 N--CA 1.408 -2.566 1 O-C-N 113.636 -5.665 . . . . 10.0 116.258 -175.099 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m 65.67 61.22 0.68 Allowed 'General case' 0 C--O 1.257 1.498 0 O-C-N 116.874 -3.641 . . . . 10.0 114.789 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -68.93 -18.68 64.13 Favored 'General case' 0 C--O 1.266 1.928 0 C-N-CA 125.983 1.713 . . . . 10.0 106.51 -167.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.4 m -54.11 -18.53 3.8 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 119.359 0.981 . . . . 10.0 112.313 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -83.96 -31.83 25.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 116.518 -3.864 . . . . 10.0 113.432 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 pt -90.88 -13.04 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.088 0 C-N-CA 129.269 3.028 . . . . 10.0 116.798 -173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 t -45.34 -17.09 0.02 OUTLIER 'General case' 0 N--CA 1.522 3.163 0 C-N-CA 128.878 2.871 . . . . 10.0 118.517 -177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -59.52 -37.48 78.45 Favored 'General case' 0 C--O 1.187 -2.228 0 N-CA-C 115.237 1.569 . . . . 10.0 115.237 166.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -66.46 -40.23 89.28 Favored 'General case' 0 C--N 1.387 2.219 0 CA-C-O 124.577 2.132 . . . . 10.0 109.267 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.07 -37.9 86.98 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.435 -1.711 . . . . 10.0 113.2 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.4 mt -81.59 -22.84 37.46 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 125.33 1.452 . . . . 10.0 109.441 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -69.56 -26.88 64.7 Favored 'General case' 0 C--N 1.371 1.543 0 CA-C-O 123.026 1.393 . . . . 10.0 111.826 166.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -67.83 -49.05 64.37 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 118.116 -1.434 . . . . 10.0 108.098 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -60.26 -21.99 62.55 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-O 115.439 -2.219 . . . . 10.0 115.591 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -90.69 -26.17 19.7 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 124.826 1.329 . . . . 10.0 112.897 170.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -75.75 -64.36 1.1 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 124.591 1.182 . . . . 10.0 108.649 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -41.98 -41.44 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.383 -3.809 0 CA-C-O 114.054 -2.879 . . . . 10.0 109.597 168.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -17.57 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 121.814 2.097 . . . . 10.0 114.601 -170.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.53 -27.82 68.06 Favored 'General case' 0 CA--C 1.501 -0.94 0 C-N-CA 116.108 -2.237 . . . . 10.0 113.782 171.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.8 -18.14 58.6 Favored 'General case' 0 N--CA 1.416 -2.134 0 CA-C-O 114.75 -2.548 . . . . 10.0 111.674 170.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.01 -26.64 33.67 Favored 'General case' 0 C--N 1.258 -3.379 0 O-C-N 125.762 1.913 . . . . 10.0 112.961 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -84.87 -32.79 23.01 Favored 'General case' 0 CA--C 1.625 3.864 0 CA-C-O 123.78 1.752 . . . . 10.0 114.112 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.257 1.496 0 C-N-CA 127.264 2.225 . . . . 10.0 116.188 172.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.515 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -55.58 -35.04 65.33 Favored 'General case' 0 C--O 1.26 1.633 0 C-N-CA 126.815 2.046 . . . . 10.0 114.925 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -105.61 -15.44 14.98 Favored 'General case' 0 N--CA 1.508 2.428 0 C-N-CA 124.418 1.087 . . . . 10.0 112.275 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.291 . . -78.66 -24.14 45.33 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 118.956 -2.34 . . . . 10.0 108.425 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.76 91.02 Favored 'General case' 0 N--CA 1.525 3.298 0 CA-C-N 123.568 2.894 . . . . 10.0 111.036 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.65 17.51 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 C-N-CA 130.57 3.548 . . . . 10.0 111.382 167.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.5 t0 63.07 38.89 10.5 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 129.021 2.928 . . . . 10.0 112.169 163.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m 55.61 68.38 0.87 Allowed 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 126.613 3.101 . . . . 10.0 114.819 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -79.97 -5.79 56.34 Favored 'General case' 0 N--CA 1.527 3.388 0 CA-C-N 111.821 -2.445 . . . . 10.0 114.968 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -63.81 -8.47 10.87 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-N 121.342 1.883 . . . . 10.0 115.062 174.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.46 -39.48 20.49 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 118.432 2.753 . . . . 10.0 118.432 165.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 pt -86.53 -13.29 10.79 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.16 0 N-CA-C 119.775 3.25 . . . . 10.0 119.775 169.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.1 t -31.84 -40.93 0.04 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 C-N-CA 128.474 2.71 . . . . 10.0 117.502 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.2 m -60.25 -40.27 89.72 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -65.55 -41.83 92.54 Favored 'General case' 0 N--CA 1.411 -2.405 0 CA-C-O 123.619 1.676 . . . . 10.0 113.779 173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.83 -27.16 66.39 Favored 'General case' 0 CA--C 1.567 1.6 0 CA-C-N 110.048 -3.251 . . . . 10.0 112.733 166.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.254 19.8 mt -82.35 -21.68 35.84 Favored 'General case' 0 N--CA 1.484 1.266 0 O-C-N 118.724 -2.485 . . . . 10.0 111.485 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 -25.28 60.41 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 120.017 1.281 . . . . 10.0 109.299 164.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -60.53 -55.1 37.43 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-N 120.959 1.709 . . . . 10.0 110.031 167.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -66.37 -20.81 66.18 Favored 'General case' 0 N--CA 1.514 2.737 0 CA-C-N 112.116 -2.311 . . . . 10.0 117.153 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -86.48 -33.88 20.22 Favored 'General case' 0 CA--C 1.466 -2.266 0 C-N-CA 130.323 3.449 . . . . 10.0 116.489 168.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -85.05 -48.85 8.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.77 -1.206 . . . . 10.0 109.724 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.68 -28.83 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 N-CA-C 106.819 -1.548 . . . . 10.0 106.819 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.349 0.3 OUTLIER -85.24 -35.2 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.047 0 O-C-N 119.136 -2.228 . . . . 10.0 114.169 -177.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.76 -43.96 97.83 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 124.834 1.254 . . . . 10.0 109.046 167.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.98 -37.47 76.89 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 126.381 1.872 . . . . 10.0 115.058 168.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.96 -15.6 62.6 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.042 1.337 . . . . 10.0 113.535 172.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -83.09 -13.68 55.22 Favored 'General case' 0 CA--C 1.572 1.796 1 O-C-N 115.173 -4.704 . . . . 10.0 112.869 169.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.515 2.803 0 C-N-CA 128.71 2.804 . . . . 10.0 110.879 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -54.08 -39.79 66.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -79.13 -17.29 55.3 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.635 1.974 . . . . 10.0 112.758 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -22.9 64.36 Favored 'General case' 0 C--O 1.286 3.021 0 CA-C-O 114.493 -2.67 . . . . 10.0 112.847 169.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.71 5.4 28.41 Favored 'General case' 0 CA--C 1.573 1.837 0 O-C-N 127.503 3.002 . . . . 10.0 112.934 165.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.8 t -126.4 0.42 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 116.339 -3.976 . . . . 10.0 108.988 -175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 67.21 50.71 0.97 Allowed 'General case' 0 N--CA 1.498 1.972 0 CA-C-O 126.849 3.214 . . . . 10.0 113.673 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.3 m 34.81 81.0 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.347 0 O-C-N 118.198 -2.814 . . . . 10.0 112.572 -168.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.0 p -65.51 -14.17 60.45 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-O 117.013 -1.47 . . . . 10.0 109.839 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.45 -14.81 58.91 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.746 1.612 . . . . 10.0 112.818 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -79.8 -49.89 11.34 Favored 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.569 1.692 . . . . 10.0 115.569 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.08 -19.28 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 CA-C-O 115.782 -2.056 . . . . 10.0 113.545 -175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 4.3 t -34.95 -31.37 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 120.406 3.484 . . . . 10.0 120.406 -171.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.1 m -66.77 -34.95 78.96 Favored 'General case' 0 C--N 1.286 -2.179 0 O-C-N 124.995 1.434 . . . . 10.0 109.459 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -62.33 -39.59 93.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 115.65 1.722 . . . . 10.0 115.65 173.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -76.76 -23.91 52.96 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 111.776 -2.465 . . . . 10.0 111.348 174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.2 mt -91.09 -20.5 21.98 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 115.762 -2.375 . . . . 10.0 106.953 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.94 -35.17 72.67 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 117.569 -1.205 . . . . 10.0 110.797 160.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.43 -55.74 29.91 Favored 'General case' 0 C--O 1.25 1.094 0 C-N-CA 117.306 -1.758 . . . . 10.0 108.857 173.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 23' ' ' VAL . 35.1 mmtm -52.82 -20.6 3.37 Favored 'General case' 0 C--N 1.38 1.935 0 N-CA-C 116.716 2.117 . . . . 10.0 116.716 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.703 ' HA ' HG12 ' A' ' 24' ' ' VAL . 67.4 mmtt -88.23 -28.12 21.35 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.232 2.679 . . . . 10.0 118.232 171.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.34 -51.06 8.76 Favored 'General case' 0 C--O 1.252 1.202 0 C-N-CA 125.069 1.348 . . . . 10.0 109.371 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 20' ' ' LYS . 6.2 p -57.93 -37.64 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 117.644 -1.169 . . . . 10.0 111.61 169.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.2 p -82.31 -17.3 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.019 0 O-C-N 126.923 2.64 . . . . 10.0 110.67 -175.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.3 56.6 tt0 -69.36 -46.99 65.66 Favored 'General case' 0 C--O 1.196 -1.735 0 CA-C-O 124.035 1.874 . . . . 10.0 113.184 162.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.06 -19.61 65.91 Favored 'General case' 0 CA--C 1.595 2.699 1 O-C-N 116.007 -4.183 . . . . 10.0 114.373 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.67 -24.74 31.2 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 128.026 2.53 . . . . 10.0 116.866 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.17 -14.05 48.15 Favored 'General case' 0 N--CA 1.53 3.548 0 O-C-N 120.781 -1.199 . . . . 10.0 111.157 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.691 1.997 . . . . 10.0 112.964 -172.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.517 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -111.21 -18.23 13.01 Favored 'General case' 0 C--O 1.296 3.549 0 O-C-N 117.596 -3.19 . . . . 10.0 107.261 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -68.77 -11.17 60.04 Favored 'General case' 0 CA--C 1.482 -1.651 0 N-CA-C 116.9 2.185 . . . . 10.0 116.9 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.2 -28.46 25.43 Favored 'General case' 0 C--N 1.398 2.696 0 CA-C-O 113.644 -3.074 . . . . 10.0 112.918 171.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.41 -34.58 78.27 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 126.11 2.131 . . . . 10.0 108.645 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.95 17.8 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.186 -2.251 0 O-C-N 117.569 -3.207 . . . . 10.0 112.375 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.295 20.8 t0 50.7 48.49 22.65 Favored 'General case' 0 N--CA 1.484 1.25 1 C-N-CA 132.217 4.207 . . . . 10.0 119.546 177.047 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m 56.51 57.71 4.68 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 112.335 -2.212 . . . . 10.0 114.706 -172.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -61.77 -29.86 70.41 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 114.363 -1.289 . . . . 10.0 108.305 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 m -61.87 -17.01 54.94 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 116.313 -3.992 . . . . 10.0 110.854 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -72.47 -53.99 10.55 Favored 'General case' 0 CA--C 1.487 -1.479 0 CA-C-N 121.748 2.067 . . . . 10.0 112.286 166.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 pt -83.46 -18.74 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.779 0 N-CA-C 117.453 2.39 . . . . 10.0 117.453 -169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 4.5 t -35.34 -48.91 0.49 Allowed 'General case' 0 N--CA 1.516 2.872 0 CA-C-O 114.239 -2.791 . . . . 10.0 115.963 -174.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -44.47 70.07 Favored 'General case' 0 CA--C 1.579 2.069 0 O-C-N 127.179 2.8 . . . . 10.0 108.56 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -67.16 -36.96 82.93 Favored 'General case' 0 C--O 1.253 1.251 0 O-C-N 118.459 -2.651 . . . . 10.0 112.943 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.15 -27.06 65.21 Favored 'General case' 0 N--CA 1.514 2.774 0 CA-C-O 114.573 -2.632 . . . . 10.0 112.095 169.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 20.5 mt -78.82 -21.46 47.65 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 123.098 2.681 . . . . 10.0 114.179 173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -82.96 -18.62 39.33 Favored 'General case' 0 C--O 1.266 1.933 0 N-CA-C 114.456 1.28 . . . . 10.0 114.456 172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' O ' HG12 ' A' ' 23' ' ' VAL . 7.7 tt0 -62.52 -51.28 68.04 Favored 'General case' 0 N--CA 1.404 -2.754 0 CA-C-O 127.225 3.393 . . . . 10.0 106.957 165.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HA ' HG12 ' A' ' 23' ' ' VAL . 44.4 mmtm -72.93 -18.24 61.41 Favored 'General case' 0 N--CA 1.509 2.483 0 CA-C-N 112.347 -2.206 . . . . 10.0 116.311 -168.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 24' ' ' VAL . 60.5 mttm -93.14 -24.36 18.28 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 130.008 3.323 . . . . 10.0 113.971 169.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -95.58 -37.77 10.7 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 119.902 -1.749 . . . . 10.0 107.935 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 20' ' ' LYS . 9.9 p -53.33 -47.46 57.58 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.668 0 C-N-CA 129.719 3.208 . . . . 10.0 108.77 163.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.469 0.4 OUTLIER -72.55 -35.01 49.77 Favored 'Isoleucine or valine' 0 C--O 1.263 1.777 0 N-CA-C 117.49 2.404 . . . . 10.0 117.49 -179.201 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.36 -36.31 79.02 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 126.242 2.925 . . . . 10.0 111.574 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.387 20.7 tt0 -67.09 -23.97 65.9 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 117.018 -3.551 . . . . 10.0 114.513 166.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' VAL . . . -84.5 -24.2 29.5 Favored 'General case' 0 C--O 1.177 -2.724 0 N-CA-C 120.999 3.703 . . . . 10.0 120.999 169.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -91.6 -18.13 24.51 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 127.017 2.127 . . . . 10.0 115.527 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 . . . . . 0 C--O 1.262 1.723 0 CA-C-O 112.648 -3.549 . . . . 10.0 110.769 176.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.185 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m -64.39 -16.82 63.01 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.349 1.981 . . . . 10.0 116.349 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -96.7 -10.11 27.6 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 126.756 2.022 . . . . 10.0 111.252 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.74 -38.66 67.34 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.861 0.839 . . . . 10.0 109.944 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.67 -15.85 59.43 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.485 1.514 . . . . 10.0 112.438 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.56 9.88 6.48 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 O-C-N 125.715 1.885 . . . . 10.0 112.754 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.359 35.9 t0 70.67 34.18 2.14 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 131.431 3.893 . . . . 10.0 108.924 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.268 25.3 m 64.92 45.88 3.06 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 115.67 -2.11 . . . . 10.0 114.659 -175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 p -60.92 -15.93 36.55 Favored 'General case' 0 C--N 1.388 2.269 0 CA-C-O 115.793 -2.051 . . . . 10.0 113.39 -175.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -54.61 -24.64 22.21 Favored 'General case' 0 C--O 1.194 -1.857 0 O-C-N 127.077 2.736 . . . . 10.0 118.358 172.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.83 -39.42 18.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 111.54 -2.573 . . . . 10.0 111.475 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.276 1.3 pt -92.98 -11.89 9.07 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.081 0 O-C-N 117.559 -3.213 . . . . 10.0 118.768 -169.509 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 t -51.87 -38.67 56.94 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 113.221 -3.275 . . . . 10.0 112.59 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.5 m -67.88 -47.95 67.45 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-N 125.716 3.871 . . . . 10.0 111.734 169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -54.59 -34.29 61.73 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.296 -2.127 . . . . 10.0 115.915 171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.22 -36.81 80.94 Favored 'General case' 0 CA--C 1.582 2.181 0 C-N-CA 128.172 2.589 . . . . 10.0 114.329 164.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.33 29.1 mt -93.18 -13.4 28.45 Favored 'General case' 0 C--O 1.18 -2.564 0 C-N-CA 118.809 -1.157 . . . . 10.0 109.04 -166.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -78.57 -33.16 47.88 Favored 'General case' 0 C--O 1.256 1.395 0 C-N-CA 128.751 2.82 . . . . 10.0 104.591 163.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -45.79 85.0 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 123.109 2.686 . . . . 10.0 115.547 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -69.27 -18.83 63.9 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 114.399 -2.715 . . . . 10.0 109.844 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.25 67.6 mttm -91.46 -21.24 21.03 Favored 'General case' 0 C--O 1.192 -1.968 0 C-N-CA 129.546 3.138 . . . . 10.0 113.037 171.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -88.46 -50.93 5.99 Favored 'General case' 0 C--N 1.278 -2.514 0 O-C-N 128.707 3.754 . . . . 10.0 113.657 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.8 p -63.03 -32.67 57.03 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 C-N-CA 128.818 2.847 . . . . 10.0 111.774 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.67 -28.07 15.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 118.018 -1.473 . . . . 10.0 114.184 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.343 30.5 mm-40 -76.98 -24.04 52.27 Favored 'General case' 0 C--N 1.306 -1.32 0 C-N-CA 124.347 1.059 . . . . 10.0 112.759 165.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -76.29 -36.43 58.37 Favored 'General case' 0 N--CA 1.512 2.628 0 C-N-CA 125.072 1.349 . . . . 10.0 107.561 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.05 66.46 Favored 'General case' 0 CA--C 1.491 -1.31 0 N-CA-C 118.103 2.631 . . . . 10.0 118.103 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.23 -10.38 49.93 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-O 113.509 -3.139 . . . . 10.0 116.414 166.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 . . . . . 0 C--O 1.261 1.698 0 CA-C-N 124.185 3.175 . . . . 10.0 110.486 -179.632 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.157 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -65.86 -50.46 64.45 Favored 'General case' 0 C--O 1.191 -1.988 0 C-N-CA 125.21 1.404 . . . . 10.0 108.199 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.51 -28.89 37.3 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 131.087 3.755 . . . . 10.0 111.56 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.55 -35.38 80.78 Favored 'General case' 0 N--CA 1.534 3.74 0 C-N-CA 118.32 -1.352 . . . . 10.0 113.016 165.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.1 -3.3 1.66 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 115.172 -2.347 . . . . 10.0 114.547 166.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.63 11.63 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.446 0 C-N-CA 127.187 2.195 . . . . 10.0 110.927 171.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.2 t0 54.26 46.3 25.49 Favored 'General case' 0 N--CA 1.53 3.573 0 CA-C-O 125.879 2.752 . . . . 10.0 110.483 -173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.2 m 49.23 90.04 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 129.311 3.045 . . . . 10.0 109.131 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.0 p -74.11 -21.88 59.7 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.386 1.474 . . . . 10.0 112.924 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -53.12 -12.38 0.36 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 126.799 2.04 . . . . 10.0 114.808 176.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -96.18 -38.69 10.04 Favored 'General case' 0 N--CA 1.537 3.921 0 O-C-N 126.178 2.174 . . . . 10.0 109.215 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.6 pt -91.2 -30.87 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 125.864 1.977 . . . . 10.0 115.522 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -35.62 -29.97 0.01 OUTLIER 'General case' 0 C--O 1.183 -2.412 0 CA-C-O 112.54 -3.6 . . . . 10.0 120.542 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -59.44 -40.16 85.89 Favored 'General case' 0 CA--C 1.589 2.443 1 CA-C-N 127.238 4.563 . . . . 10.0 108.807 169.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -59.71 -46.87 87.78 Favored 'General case' 0 C--O 1.278 2.592 0 C-N-CA 124.792 1.237 . . . . 10.0 109.869 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -66.28 -18.24 65.23 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.262 1.825 . . . . 10.0 115.215 174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.62 -33.05 15.26 Favored 'General case' 0 C--O 1.185 -2.338 0 C-N-CA 126.541 1.937 . . . . 10.0 114.189 172.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -57.54 -34.85 69.58 Favored 'General case' 0 C--O 1.19 -2.052 0 CA-C-O 116.772 -1.585 . . . . 10.0 111.159 158.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.23 -40.13 86.32 Favored 'General case' 0 CA--C 1.573 1.839 0 CA-C-O 125.893 2.759 . . . . 10.0 110.762 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -72.93 -18.46 61.39 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-O 116.256 -1.83 . . . . 10.0 111.71 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -85.05 -26.84 26.74 Favored 'General case' 0 CA--C 1.616 3.512 1 C-N-CA 134.088 4.955 . . . . 10.0 116.204 169.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -89.79 -46.63 8.45 Favored 'General case' 0 CA--C 1.471 -2.086 0 O-C-N 124.861 1.351 . . . . 10.0 109.383 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -61.91 -32.11 53.19 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 115.336 -2.269 . . . . 10.0 108.089 165.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.442 0.5 OUTLIER -77.62 -22.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 N-CA-C 116.489 2.033 . . . . 10.0 116.489 169.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.287 36.4 tt0 -75.95 -20.87 57.59 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 116.915 2.191 . . . . 10.0 116.915 169.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -86.59 -30.75 21.61 Favored 'General case' 0 CA--C 1.558 1.252 0 CA-C-N 110.707 -2.951 . . . . 10.0 111.62 167.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -38.44 79.82 Favored 'General case' 0 CA--C 1.571 1.759 0 O-C-N 119.136 -2.227 . . . . 10.0 113.63 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -68.57 -22.77 64.46 Favored 'General case' 0 CA--C 1.511 -0.525 1 C-N-CA 133.117 4.567 . . . . 10.0 112.367 173.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 CA--C 1.469 -2.15 0 C-N-CA 126.855 2.062 . . . . 10.0 115.982 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -68.61 -16.37 63.83 Favored 'General case' 0 N--CA 1.519 3.018 0 O-C-N 118.571 -2.581 . . . . 10.0 112.146 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.295 23.7 t70 -79.99 -9.12 59.66 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 118.256 -2.777 . . . . 10.0 114.438 171.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.76 -40.53 95.44 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 121.433 -0.792 . . . . 10.0 110.999 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.87 -16.39 63.79 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 117.563 -1.655 . . . . 10.0 112.349 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.26 24.06 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 129.563 3.145 . . . . 10.0 108.236 -171.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 54.41 30.8 13.39 Favored 'General case' 0 CA--C 1.595 2.687 0 O-C-N 119.575 -1.953 . . . . 10.0 110.662 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m 54.76 83.34 0.08 Allowed 'General case' 0 N--CA 1.518 2.928 0 C-N-CA 125.337 1.455 . . . . 10.0 112.715 -168.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.4 p -71.2 -19.83 62.34 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 124.197 1.951 . . . . 10.0 111.694 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -51.88 -23.45 4.88 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 116.855 -3.653 . . . . 10.0 116.204 167.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.43 -56.92 3.97 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 115.977 -1.963 . . . . 10.0 112.562 170.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.37 -16.13 17.32 Favored 'Isoleucine or valine' 0 C--O 1.257 1.481 0 O-C-N 126.544 2.403 . . . . 10.0 113.077 -169.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -44.34 -34.28 1.92 Allowed 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 126.574 1.95 . . . . 10.0 116.251 -164.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.268 0.5 OUTLIER -53.89 -43.14 69.38 Favored 'General case' 0 CA--C 1.559 1.297 1 O-C-N 114.505 -5.122 . . . . 10.0 115.309 172.17 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.536 3.867 0 C-N-CA 125.788 1.635 . . . . 10.0 113.28 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.45 -20.58 62.88 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 114.759 -1.109 . . . . 10.0 112.311 172.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.34 13.4 mt -76.51 -35.74 58.15 Favored 'General case' 0 CA--C 1.463 -2.394 0 C-N-CA 128.367 2.667 . . . . 10.0 117.525 172.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.79 -21.78 66.12 Favored 'General case' 0 C--O 1.246 0.897 0 O-C-N 119.627 -1.921 . . . . 10.0 114.429 165.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -76.93 -44.45 31.52 Favored 'General case' 0 C--N 1.27 -2.852 0 C-N-CA 125.48 1.512 . . . . 10.0 108.313 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -68.62 -31.73 71.11 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 120.169 -1.582 . . . . 10.0 109.755 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' HG12 ' A' ' 24' ' ' VAL . 57.7 mmtt -89.74 -10.09 46.92 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 119.263 -2.148 . . . . 10.0 113.855 -175.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.37 -52.5 5.16 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-N 114.427 -1.26 . . . . 10.0 109.876 171.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.38 -36.92 72.32 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 O-C-N 124.558 1.161 . . . . 10.0 108.672 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 21' ' ' LYS . 1.9 p -78.63 -26.39 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.686 0 C-N-CA 118.91 -1.116 . . . . 10.0 112.121 -171.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -83.71 -27.73 28.78 Favored 'General case' 0 CA--C 1.455 -2.703 0 CA-C-O 123.125 1.441 . . . . 10.0 112.478 175.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.71 -33.24 66.31 Favored 'General case' 0 C--O 1.27 2.132 0 CA-C-O 114.514 -2.66 . . . . 10.0 109.458 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.16 -24.04 63.09 Favored 'General case' 0 CA--C 1.617 3.533 0 N-CA-C 107.085 -1.45 . . . . 10.0 107.085 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -85.98 -20.42 28.92 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 127.508 2.323 . . . . 10.0 113.946 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.9 t30 . . . . . 0 C--O 1.263 1.765 0 CA-C-O 113.294 -3.241 . . . . 10.0 113.141 -172.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.882 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.34 -15.2 11.59 Favored 'General case' 0 N--CA 1.433 -1.312 1 O-C-N 114.993 -4.817 . . . . 10.0 113.751 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.22 -17.39 64.71 Favored 'General case' 0 N--CA 1.419 -2.003 0 CA-C-O 123.313 1.53 . . . . 10.0 113.965 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -27.9 69.41 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 117.396 -3.315 . . . . 10.0 112.063 170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.91 -0.69 44.94 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-O 116.626 -1.654 . . . . 10.0 111.99 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.3 21.97 2.29 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 C-N-CA 127.219 2.208 . . . . 10.0 116.062 -172.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t0 64.02 38.28 8.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.632 -1.293 . . . . 10.0 111.604 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 52.24 48.24 23.08 Favored 'General case' 1 N--CA 1.554 4.765 0 O-C-N 118.954 -2.341 . . . . 10.0 113.723 -173.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 24.0 p -51.02 -22.27 2.24 Favored 'General case' 0 CA--C 1.588 2.442 0 N-CA-C 117.77 2.507 . . . . 10.0 117.77 168.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -64.66 -6.57 8.07 Favored 'General case' 0 C--O 1.267 1.988 0 O-C-N 118.728 -2.483 . . . . 10.0 113.441 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -92.2 -48.01 6.93 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-O 123.663 1.697 . . . . 10.0 112.188 166.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.307 1.0 OUTLIER -82.17 -18.46 11.07 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.775 0 O-C-N 118.171 -2.83 . . . . 10.0 116.519 -163.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 t -39.79 -40.2 0.92 Allowed 'General case' 0 C--O 1.259 1.605 0 C-N-CA 129.368 3.067 . . . . 10.0 117.478 -175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -63.69 -42.25 98.04 Favored 'General case' 0 CA--C 1.567 1.633 0 O-C-N 119.181 -2.2 . . . . 10.0 115.13 173.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -56.73 -44.86 82.05 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 119.564 -1.96 . . . . 10.0 109.478 166.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.14 -33.74 72.58 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 127.054 2.142 . . . . 10.0 109.103 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.02 -18.97 27.81 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 116.421 -3.925 . . . . 10.0 111.554 -171.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.02 -19.0 60.78 Favored 'General case' 0 C--O 1.27 2.143 0 CA-C-N 113.268 -1.787 . . . . 10.0 115.315 162.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -70.85 -52.25 21.47 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 123.655 1.693 . . . . 10.0 106.596 164.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -69.96 -16.45 63.2 Favored 'General case' 1 N--CA 1.552 4.651 1 CA-C-O 109.458 -5.068 . . . . 10.0 111.274 -174.029 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -91.99 -26.64 18.28 Favored 'General case' 0 C--N 1.271 -2.846 0 O-C-N 128.404 3.565 . . . . 10.0 112.481 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -91.61 -37.83 12.83 Favored 'General case' 0 N--CA 1.525 3.322 0 CA-C-N 113.815 -1.538 . . . . 10.0 109.279 -173.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.62 -37.24 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 120.07 -1.644 . . . . 10.0 110.242 166.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.337 0.3 OUTLIER -84.59 -37.8 12.95 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 C-N-CA 117.784 -1.566 . . . . 10.0 109.999 -169.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.02 -28.69 62.71 Favored 'General case' 0 C--O 1.262 1.75 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 167.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -80.75 -19.09 45.7 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 119.94 -1.725 . . . . 10.0 114.695 167.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.74 63.82 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 115.765 1.765 . . . . 10.0 115.765 165.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.85 -18.02 30.17 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.706 1.879 . . . . 10.0 114.536 -168.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 CA--C 1.599 2.829 0 C-N-CA 128.405 2.682 . . . . 10.0 114.254 172.633 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.379 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -58.58 -36.98 74.81 Favored 'General case' 0 CA--C 1.565 1.55 0 O-C-N 119.568 -1.957 . . . . 10.0 115.58 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . 0.324 23.2 t70 -64.23 -7.93 10.91 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 125.575 1.797 . . . . 10.0 111.585 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.41 72.33 Favored 'General case' 0 N--CA 1.515 2.802 0 CA-C-O 115.197 -2.335 . . . . 10.0 109.809 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.92 -7.38 0.46 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 115.618 1.711 . . . . 10.0 115.618 169.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 t -114.67 3.47 7.89 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.635 0 CA-C-O 125.548 2.594 . . . . 10.0 108.511 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t0 56.33 45.29 23.19 Favored 'General case' 0 C--N 1.376 1.739 0 CA-C-O 124.615 2.15 . . . . 10.0 115.64 -172.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.319 21.6 m 61.51 72.67 0.5 Allowed 'General case' 0 N--CA 1.403 -2.799 0 C-N-CA 129.836 3.254 . . . . 10.0 111.612 176.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.1 p -60.93 -27.83 68.5 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 117.214 -1.374 . . . . 10.0 113.198 172.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.2 m -65.61 -9.29 25.7 Favored 'General case' 0 N--CA 1.431 -1.378 0 N-CA-C 117.284 2.328 . . . . 10.0 117.284 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.457 43.2 mt-10 -101.21 -32.92 10.3 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 127.474 2.984 . . . . 10.0 112.132 175.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 pt -91.83 -16.52 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.3 0 O-C-N 124.381 1.051 . . . . 10.0 113.639 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 t -46.56 -29.13 1.66 Allowed 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 119.645 3.202 . . . . 10.0 119.645 -173.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -69.33 -37.28 77.62 Favored 'General case' 0 C--O 1.265 1.884 0 CA-C-N 123.878 3.035 . . . . 10.0 111.281 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -61.2 -29.8 70.03 Favored 'General case' 0 N--CA 1.537 3.92 0 O-C-N 116.889 -3.632 . . . . 10.0 110.159 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -85.53 -19.99 30.31 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 118.113 -2.867 . . . . 10.0 109.426 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -90.76 -17.38 26.76 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 118.159 -2.838 . . . . 10.0 114.138 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.57 -24.26 45.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 107.536 -1.283 . . . . 10.0 107.536 165.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.01 -45.58 66.92 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.458 1.503 . . . . 10.0 112.197 173.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -68.54 -16.95 64.04 Favored 'General case' 0 C--O 1.193 -1.904 0 O-C-N 127.445 2.966 . . . . 10.0 112.477 178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.684 ' HA ' HG12 ' A' ' 24' ' ' VAL . 65.5 mttm -95.57 -17.41 21.42 Favored 'General case' 0 N--CA 1.519 3.024 0 C-N-CA 124.667 1.187 . . . . 10.0 113.714 172.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -85.21 -49.12 8.47 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 128.266 2.626 . . . . 10.0 113.126 175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 p -60.5 -39.85 82.5 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 125.372 1.469 . . . . 10.0 109.629 167.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -79.0 -16.49 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 115.467 -2.493 . . . . 10.0 116.528 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -80.15 -32.44 38.87 Favored 'General case' 0 CA--C 1.469 -2.155 0 C-N-CA 128.023 2.529 . . . . 10.0 113.562 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -61.72 -29.97 70.46 Favored 'General case' 0 N--CA 1.53 3.554 0 CA-C-O 116.78 -1.581 . . . . 10.0 113.704 165.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.55 81.62 Favored 'General case' 0 N--CA 1.504 2.269 0 CA-C-N 121.316 1.871 . . . . 10.0 112.762 178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.43 3.9 tt0 -87.28 -11.5 49.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 117.603 2.446 . . . . 10.0 117.603 167.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.4 t30 . . . . . 0 CA--C 1.58 2.128 0 CA-C-N 120.382 1.447 . . . . 10.0 110.948 174.365 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.589 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -80.43 -34.84 35.82 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 118.306 -0.854 . . . . 10.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -54.78 -12.72 0.84 Allowed 'General case' 0 N--CA 1.506 2.367 1 C-N-CA 131.765 4.026 . . . . 10.0 111.622 172.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -31.31 71.31 Favored 'General case' 0 C--O 1.176 -2.806 0 CA-C-N 120.499 1.5 . . . . 10.0 109.688 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.53 9.45 6.0 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-N 115.068 -0.969 . . . . 10.0 110.613 -177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 7.5 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.957 0 CA-C-O 117.069 -1.443 . . . . 10.0 108.916 176.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.317 29.5 t70 64.64 46.22 3.24 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 129.046 2.938 . . . . 10.0 111.604 -171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m 45.37 64.97 1.23 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 116.696 -3.752 . . . . 10.0 112.479 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 p -70.99 -29.41 65.37 Favored 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.43 -1.714 . . . . 10.0 109.163 -171.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 m -61.95 -7.83 4.33 Favored 'General case' 0 N--CA 1.513 2.7 0 C-N-CA 126.363 1.865 . . . . 10.0 112.496 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -101.48 -25.54 13.88 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 123.898 1.808 . . . . 10.0 112.547 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.329 7.5 pt -92.13 -17.21 7.65 Favored 'Isoleucine or valine' 0 C--O 1.253 1.245 0 O-C-N 119.236 -2.165 . . . . 10.0 113.597 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 t -49.41 -25.21 2.38 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 127.719 2.408 . . . . 10.0 114.821 -164.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 m -72.86 -36.93 67.5 Favored 'General case' 0 C--O 1.242 0.661 1 CA-C-O 129.003 4.239 . . . . 10.0 113.724 173.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -72.12 -24.33 61.46 Favored 'General case' 0 CA--C 1.589 2.453 0 CA-C-N 111.465 -2.607 . . . . 10.0 112.493 175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -75.64 -36.35 60.21 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.466 1.906 . . . . 10.0 114.656 166.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.81 -28.32 58.27 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 117.001 2.223 . . . . 10.0 117.001 176.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mptm? -71.47 -20.07 62.13 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 128.301 3.5 . . . . 10.0 110.297 170.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.96 -49.49 44.87 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 119.293 -2.129 . . . . 10.0 109.629 167.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -64.63 -22.49 66.99 Favored 'General case' 0 C--O 1.253 1.257 0 CA-C-O 113.963 -2.922 . . . . 10.0 114.632 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -92.3 -24.61 18.91 Favored 'General case' 0 N--CA 1.528 3.465 0 CA-C-O 126.796 3.189 . . . . 10.0 114.554 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -90.26 -50.05 6.2 Favored 'General case' 0 C--O 1.282 2.782 0 CA-C-N 113.015 -1.902 . . . . 10.0 109.747 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.5 -43.78 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.602 0 O-C-N 118.418 -2.676 . . . . 10.0 112.477 163.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.91 -31.37 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 C-N-CA 117.517 -1.673 . . . . 10.0 110.027 -169.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.88 -31.64 45.55 Favored 'General case' 0 C--O 1.198 -1.636 0 CA-C-N 120.719 1.6 . . . . 10.0 114.027 172.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -61.74 -24.21 66.66 Favored 'General case' 0 CA--C 1.583 2.233 0 CA-C-O 114.791 -2.528 . . . . 10.0 113.91 168.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.58 -25.27 63.9 Favored 'General case' 0 C--O 1.19 -2.069 0 O-C-N 125.189 1.555 . . . . 10.0 108.683 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -84.85 -14.46 47.87 Favored 'General case' 0 C--O 1.263 1.773 0 C-N-CA 126.788 2.035 . . . . 10.0 115.234 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 1 N--CA 1.541 4.08 0 C-N-CA 129.368 3.067 . . . . 10.0 114.906 -166.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.326 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -80.31 -1.03 39.22 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-O 115.174 -2.346 . . . . 10.0 114.798 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -83.61 -8.33 59.33 Favored 'General case' 0 N--CA 1.483 1.217 0 O-C-N 125.972 2.045 . . . . 10.0 110.353 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . -66.27 -41.82 89.32 Favored 'General case' 0 C--N 1.406 3.051 0 O-C-N 116.621 -3.799 . . . . 10.0 110.563 -178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.28 5.65 3.44 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 128.398 2.679 . . . . 10.0 113.856 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.6 t -131.04 15.15 1.95 Allowed 'Isoleucine or valine' 1 CA--C 1.631 4.089 0 CA-C-O 125.573 2.606 . . . . 10.0 111.68 164.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.407 5.9 t0 61.22 51.24 4.41 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 117.907 -2.996 . . . . 10.0 117.257 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m 48.71 57.76 6.0 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 128.358 2.663 . . . . 10.0 112.237 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 p -57.03 -37.0 71.14 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.334 2.346 . . . . 10.0 117.334 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 m -57.52 -5.21 0.32 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -109.35 -23.49 11.53 Favored 'General case' 0 C--O 1.198 -1.641 0 O-C-N 118.022 -2.924 . . . . 10.0 112.284 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.9 pt -93.89 -18.99 6.76 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 C-N-CA 126.034 1.734 . . . . 10.0 114.09 174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 t -38.29 -35.05 0.15 Allowed 'General case' 0 N--CA 1.507 2.42 0 O-C-N 118.251 -2.781 . . . . 10.0 113.926 -170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.2 m -59.13 -52.67 64.71 Favored 'General case' 0 C--O 1.158 -3.74 0 CA-C-N 120.199 1.363 . . . . 10.0 111.454 172.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -57.76 -37.49 73.75 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 128.131 2.573 . . . . 10.0 109.753 175.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.81 -33.55 75.92 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.953 1.301 . . . . 10.0 110.531 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.256 5.3 mt -84.45 -27.13 27.73 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 114.514 -2.66 . . . . 10.0 110.689 -173.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -23.43 66.84 Favored 'General case' 0 N--CA 1.526 3.355 0 CA-C-N 120.587 1.54 . . . . 10.0 112.695 163.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.256 44.3 mt-10 -68.84 -46.33 68.83 Favored 'General case' 0 N--CA 1.506 2.328 0 CA-C-O 115.589 -2.148 . . . . 10.0 110.662 165.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -71.0 -18.21 62.61 Favored 'General case' 0 N--CA 1.401 -2.907 0 O-C-N 124.987 1.429 . . . . 10.0 111.199 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -89.4 -11.96 41.68 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 116.962 -3.586 . . . . 10.0 117.769 169.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . 0.303 40.5 tt0 -91.85 -71.47 0.64 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 129.196 2.998 . . . . 10.0 104.897 -176.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.4 p -36.76 -41.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 CA-C-O 124.182 1.944 . . . . 10.0 113.406 167.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . 0.369 0.8 OUTLIER -74.85 -34.94 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 CA-C-N 113.9 -1.5 . . . . 10.0 109.453 -171.353 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.05 -41.32 59.32 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 123.858 1.789 . . . . 10.0 110.93 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.67 -33.46 70.16 Favored 'General case' 0 N--CA 1.436 -1.174 0 O-C-N 119.464 -2.023 . . . . 10.0 114.431 174.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.84 -19.08 64.77 Favored 'General case' 0 CA--C 1.491 -1.325 0 O-C-N 120.226 -1.546 . . . . 10.0 113.831 174.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -89.94 -14.48 34.03 Favored 'General case' 0 C--O 1.174 -2.872 0 C-N-CA 129.889 3.275 . . . . 10.0 114.148 168.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 . . . . . 0 N--CA 1.428 -1.53 0 O-C-N 119.444 -2.035 . . . . 10.0 112.596 -172.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -66.03 -24.29 66.72 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-O 122.843 1.306 . . . . 10.0 113.952 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.15 -18.15 43.84 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 115.143 -4.723 . . . . 10.0 115.909 175.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.95 -28.03 65.89 Favored 'General case' 0 CA--C 1.588 2.424 0 N-CA-C 117.323 2.342 . . . . 10.0 117.323 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.418 -2.032 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 166.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.0 t -108.73 25.32 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 125.561 1.544 . . . . 10.0 110.323 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . 0.361 12.7 t70 55.11 29.34 12.37 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 109.759 -3.382 . . . . 10.0 116.435 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 m 68.06 77.43 0.25 Allowed 'General case' 0 N--CA 1.478 0.958 0 O-C-N 126.592 2.432 . . . . 10.0 108.325 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 98.6 p -65.09 -19.44 65.99 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 123.845 1.783 . . . . 10.0 113.307 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m -71.51 -12.14 61.23 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-N 113.388 -1.733 . . . . 10.0 111.178 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -83.89 -50.99 7.54 Favored 'General case' 0 C--O 1.277 2.526 0 O-C-N 120.599 -1.313 . . . . 10.0 111.027 168.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 pp -85.88 -14.34 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 119.344 3.09 . . . . 10.0 119.344 -170.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -32.93 -34.45 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 1 C-N-CA 132.01 4.124 . . . . 10.0 114.175 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -62.79 -38.74 91.84 Favored 'General case' 1 N--CA 1.541 4.111 0 CA-C-N 124.589 3.359 . . . . 10.0 108.436 -174.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -52.13 -44.12 64.35 Favored 'General case' 0 C--N 1.392 2.43 0 C-N-CA 128.196 2.598 . . . . 10.0 116.74 167.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.16 -32.93 69.52 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 128.52 2.728 . . . . 10.0 108.09 175.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.56 -37.66 68.16 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 121.456 1.934 . . . . 10.0 113.049 176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -52.37 -30.55 29.48 Favored 'General case' 0 C--O 1.266 1.926 0 CA-C-O 114.35 -2.738 . . . . 10.0 110.986 162.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.31 -62.98 1.16 Allowed 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.925 -1.509 . . . . 10.0 106.925 168.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 33.6 mmtm -55.38 -32.48 62.65 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 114.921 1.452 . . . . 10.0 114.921 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -89.7 -12.8 38.43 Favored 'General case' 0 N--CA 1.527 3.41 0 O-C-N 119.093 -2.254 . . . . 10.0 112.31 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -87.92 -58.41 2.58 Favored 'General case' 0 N--CA 1.512 2.668 0 O-C-N 127.216 2.823 . . . . 10.0 110.582 165.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -46.74 -38.28 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 121.932 2.151 . . . . 10.0 113.468 168.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 20' ' ' LYS 0.451 0.4 OUTLIER -82.1 -17.26 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.687 0 C-N-CA 117.848 -1.541 . . . . 10.0 113.61 -178.362 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . 0.259 62.4 tt0 -82.14 -30.21 31.19 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 118.801 2.889 . . . . 10.0 118.801 166.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.78 -20.84 35.06 Favored 'General case' 0 C--N 1.393 2.469 0 CA-C-O 116.609 -1.663 . . . . 10.0 110.842 172.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.68 -16.69 63.9 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 126.816 2.047 . . . . 10.0 116.224 170.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -72.6 -40.06 66.81 Favored 'General case' 0 N--CA 1.518 2.972 0 CA-C-N 115.222 -0.899 . . . . 10.0 112.928 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.3 12.9 t30 . . . . . 0 N--CA 1.493 1.707 0 CA-C-N 112.517 -2.128 . . . . 10.0 112.088 -172.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.263 1.811 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -62.62 -29.9 70.96 Favored 'General case' 0 C--O 1.199 -1.555 0 C-N-CA 127.391 2.276 . . . . 10.0 107.971 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -100.79 -18.57 16.38 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 128.335 2.654 . . . . 10.0 115.31 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.15 91.45 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 121.112 1.778 . . . . 10.0 110.188 157.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.25 -11.93 3.17 Favored 'General case' 0 N--CA 1.51 2.54 0 CA-C-N 120.662 1.574 . . . . 10.0 111.896 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.41 21.17 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 127.798 2.439 . . . . 10.0 115.284 173.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 55.54 49.16 17.21 Favored 'General case' 0 CA--C 1.583 2.225 1 C-N-CA 132.154 4.182 . . . . 10.0 113.591 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.361 28.8 m 59.68 49.01 8.68 Favored 'General case' 0 N--CA 1.519 3.02 0 CA-C-N 110.697 -2.956 . . . . 10.0 111.674 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 p -72.67 -4.38 30.75 Favored 'General case' 0 C--N 1.262 -3.206 0 O-C-N 117.099 -3.501 . . . . 10.0 119.261 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.7 m -56.17 -20.83 19.55 Favored 'General case' 0 N--CA 1.433 -1.316 0 O-C-N 127.58 3.05 . . . . 10.0 115.464 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.74 -50.42 43.69 Favored 'General case' 0 N--CA 1.532 3.629 1 O-C-N 115.196 -4.69 . . . . 10.0 113.128 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 pt -84.32 -14.02 11.44 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 125.802 1.939 . . . . 10.0 114.199 -174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.0 t -44.62 -24.69 0.21 Allowed 'General case' 0 C--O 1.192 -1.939 0 N-CA-C 118.278 2.695 . . . . 10.0 118.278 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -67.97 -43.34 79.2 Favored 'General case' 0 N--CA 1.509 2.518 0 CA-C-N 120.581 1.537 . . . . 10.0 110.553 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -59.04 -29.94 67.66 Favored 'General case' 0 N--CA 1.517 2.908 0 C-N-CA 128.519 2.728 . . . . 10.0 110.412 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.41 -30.3 60.03 Favored 'General case' 0 C--N 1.39 2.349 0 O-C-N 120.076 -1.64 . . . . 10.0 108.451 171.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 20' ' ' LYS . 47.1 mt -89.74 -22.25 22.28 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 112.47 -3.633 . . . . 10.0 108.009 -170.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.43 -32.74 72.99 Favored 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 126.394 2.309 . . . . 10.0 109.967 167.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -62.33 -45.75 91.8 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-O 123.043 1.401 . . . . 10.0 111.018 166.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 38.9 mmtm -67.76 -14.39 62.91 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 119.704 -1.873 . . . . 10.0 114.955 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -97.73 -18.31 18.9 Favored 'General case' 0 N--CA 1.517 2.914 0 C-N-CA 129.97 3.308 . . . . 10.0 111.335 178.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -91.55 -48.08 7.05 Favored 'General case' 0 C--O 1.198 -1.617 0 O-C-N 120.326 -1.484 . . . . 10.0 111.364 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.4 p -54.08 -36.53 32.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.968 0 N-CA-C 102.969 -2.975 . . . . 10.0 102.969 168.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.44 -38.25 31.94 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.025 0 O-C-N 125.274 1.609 . . . . 10.0 110.21 -175.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.1 -27.47 69.11 Favored 'General case' 0 CA--C 1.56 1.339 0 O-C-N 117.533 -3.229 . . . . 10.0 114.115 170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.87 -21.1 29.89 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 119.641 3.2 . . . . 10.0 119.641 171.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.86 -36.07 75.22 Favored 'General case' 0 CA--C 1.603 2.997 0 O-C-N 128.162 3.414 . . . . 10.0 109.801 162.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.87 -27.61 44.08 Favored 'General case' 0 CA--C 1.563 1.459 0 O-C-N 117.648 -3.157 . . . . 10.0 113.019 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 . . . . . 0 CA--C 1.559 1.291 0 C-N-CA 128.175 2.59 . . . . 10.0 113.638 175.386 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.809 . . . . . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -57.26 -36.54 71.11 Favored 'General case' 0 CA--C 1.566 1.569 0 CA-C-O 123.703 1.716 . . . . 10.0 113.23 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.98 -14.6 61.47 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 117.52 2.415 . . . . 10.0 117.52 178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -34.95 74.49 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 117.698 -3.126 . . . . 10.0 112.263 167.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.85 65.67 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 117.661 -1.615 . . . . 10.0 109.898 171.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.9 t -107.75 34.86 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.779 0 CA-C-O 125.14 2.4 . . . . 10.0 107.962 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 46.31 37.02 3.72 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-O 126.79 3.186 . . . . 10.0 118.295 178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.343 30.7 m 52.87 70.03 0.63 Allowed 'General case' 0 N--CA 1.421 -1.882 0 C-N-CA 130.168 3.387 . . . . 10.0 115.785 -175.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 p -71.42 -12.95 61.68 Favored 'General case' 0 C--O 1.259 1.584 0 C-N-CA 126.488 1.915 . . . . 10.0 112.224 -174.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -51.68 -19.12 1.43 Allowed 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 114.729 -1.123 . . . . 10.0 113.705 166.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -104.15 -23.99 13.21 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 125.108 1.363 . . . . 10.0 114.335 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.374 1.1 pp -77.44 -20.58 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 CA-C-O 124.457 2.075 . . . . 10.0 114.192 -176.257 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.41 0.6 OUTLIER -39.21 -35.98 0.29 Allowed 'General case' 0 N--CA 1.423 -1.778 1 C-N-CA 132.235 4.214 . . . . 10.0 118.994 -170.593 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 m -69.19 -22.74 63.88 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 115.961 -2.296 . . . . 10.0 114.959 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -74.66 -35.79 62.83 Favored 'General case' 0 CA--C 1.447 -2.989 0 CA-C-O 114.842 -2.504 . . . . 10.0 112.505 168.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -73.38 -18.68 61.14 Favored 'General case' 0 C--N 1.372 1.555 0 O-C-N 126.704 2.502 . . . . 10.0 113.02 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.8 mt -91.16 -34.34 15.07 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.368 2.267 . . . . 10.0 114.935 178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -71.81 -14.2 61.91 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 122.569 1.176 . . . . 10.0 108.971 167.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.99 -49.3 12.95 Favored 'General case' 0 CA--C 1.563 1.462 0 O-C-N 117.767 -3.083 . . . . 10.0 108.623 162.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -49.67 -36.9 26.45 Favored 'General case' 0 N--CA 1.51 2.565 0 CA-C-N 121.833 2.106 . . . . 10.0 114.325 174.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -82.62 -17.89 43.11 Favored 'General case' 0 N--CA 1.535 3.795 0 N-CA-C 116.32 1.971 . . . . 10.0 116.32 175.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.67 -63.68 1.35 Allowed 'General case' 0 N--CA 1.519 3.003 0 N-CA-C 102.388 -3.19 . . . . 10.0 102.388 172.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -47.46 -33.38 2.96 Favored 'Isoleucine or valine' 0 C--O 1.273 2.297 0 C-N-CA 117.531 -1.668 . . . . 10.0 112.346 177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.91 -25.23 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-N 121.086 1.766 . . . . 10.0 112.148 -171.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -82.54 -25.1 33.68 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 121.057 -1.027 . . . . 10.0 112.533 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 29' ' ' ASN . 5.6 mm-40 -85.61 -19.61 30.76 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 118.882 -1.127 . . . . 10.0 109.539 176.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.263 . . -64.49 -32.33 73.91 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 119.025 -2.297 . . . . 10.0 116.237 166.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -74.68 -49.33 21.69 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 126.208 2.192 . . . . 10.0 109.913 170.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . 37.4 t30 . . . . . 0 CA--C 1.487 -1.457 0 C-N-CA 128.322 2.649 . . . . 10.0 115.385 -173.572 . . . . . . . . 1 1 . 1 stop_ save_