data_1hyw_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 1hyw _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.862 0.363 . . . . 99.989999999999995 111.31 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 99.989999999999995 111.509 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 99.989999999999995 111.081 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 99.989999999999995 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 99.989999999999995 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 99.989999999999995 107.339 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 99.989999999999995 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 99.989999999999995 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 99.989999999999995 109.778 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 99.989999999999995 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 99.989999999999995 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 99.989999999999995 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 99.989999999999995 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 99.989999999999995 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 99.989999999999995 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 99.989999999999995 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 99.989999999999995 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 99.989999999999995 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 99.989999999999995 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 99.989999999999995 110.835 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 99.989999999999995 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 99.989999999999995 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 99.989999999999995 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 99.989999999999995 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 99.989999999999995 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 99.989999999999995 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 99.989999999999995 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 99.989999999999995 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 99.989999999999995 108.814 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 99.989999999999995 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 99.989999999999995 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 99.989999999999995 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG2' ' CE ' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 99.989999999999995 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 99.989999999999995 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 99.989999999999995 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 99.989999999999995 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 99.989999999999995 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 99.989999999999995 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 99.989999999999995 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 99.989999999999995 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 99.989999999999995 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 99.989999999999995 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 99.989999999999995 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 99.989999999999995 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 99.989999999999995 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.298 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.475 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.127 0.489 . . . . 99.989999999999995 111.003 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 99.989999999999995 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 99.989999999999995 111.19 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 99.989999999999995 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 99.989999999999995 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 99.989999999999995 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 99.989999999999995 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 99.989999999999995 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 99.989999999999995 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 99.989999999999995 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 99.989999999999995 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 99.989999999999995 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 99.989999999999995 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 99.989999999999995 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 99.989999999999995 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 99.989999999999995 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 99.989999999999995 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 99.989999999999995 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 99.989999999999995 110.174 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 99.989999999999995 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 99.989999999999995 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 99.989999999999995 111.686 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 99.989999999999995 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 99.989999999999995 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 99.989999999999995 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 99.989999999999995 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 99.989999999999995 111.531 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 99.989999999999995 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 99.989999999999995 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 99.989999999999995 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 99.989999999999995 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 99.989999999999995 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 99.989999999999995 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 99.989999999999995 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 99.989999999999995 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 99.989999999999995 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 99.989999999999995 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 99.989999999999995 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 99.989999999999995 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 99.989999999999995 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 99.989999999999995 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 99.989999999999995 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 99.989999999999995 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 99.989999999999995 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 99.989999999999995 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 99.989999999999995 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 99.989999999999995 110.369 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.495 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.925 0.393 . . . . 99.989999999999995 111.55 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 99.989999999999995 112.167 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 110.851 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 99.989999999999995 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 99.989999999999995 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 99.989999999999995 107.502 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 99.989999999999995 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 99.989999999999995 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 99.989999999999995 109.713 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 99.989999999999995 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 99.989999999999995 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 99.989999999999995 108.14 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 99.989999999999995 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 99.989999999999995 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 99.989999999999995 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 99.989999999999995 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 99.989999999999995 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 99.989999999999995 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 99.989999999999995 110.267 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 99.989999999999995 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 99.989999999999995 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 99.989999999999995 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 99.989999999999995 112.053 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 99.989999999999995 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 99.989999999999995 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 99.989999999999995 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 99.989999999999995 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 99.989999999999995 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 99.989999999999995 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 99.989999999999995 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 99.989999999999995 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.401 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 99.989999999999995 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 99.989999999999995 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 99.989999999999995 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 99.989999999999995 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 99.989999999999995 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 99.989999999999995 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 99.989999999999995 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 99.989999999999995 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 99.989999999999995 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 99.989999999999995 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.534 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 99.989999999999995 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 99.989999999999995 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 99.989999999999995 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 99.989999999999995 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 99.989999999999995 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 99.989999999999995 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 99.989999999999995 109.725 176.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.491 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 121.401 0.62 . . . . 99.989999999999995 110.776 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 99.989999999999995 112.448 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 99.989999999999995 111.132 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 99.989999999999995 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 99.989999999999995 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 99.989999999999995 107.103 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 99.989999999999995 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 99.989999999999995 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 99.989999999999995 109.647 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 99.989999999999995 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 99.989999999999995 110.512 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 99.989999999999995 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 99.989999999999995 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD2' ' CB ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 99.989999999999995 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 99.989999999999995 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 99.989999999999995 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 99.989999999999995 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 99.989999999999995 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 99.989999999999995 110.386 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 99.989999999999995 110.704 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 99.989999999999995 111.042 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 99.989999999999995 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 99.989999999999995 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 99.989999999999995 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HE2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 99.989999999999995 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 99.989999999999995 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 99.989999999999995 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 99.989999999999995 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 99.989999999999995 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 99.989999999999995 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 99.989999999999995 110.236 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 99.989999999999995 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 99.989999999999995 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 99.989999999999995 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' LYS . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 99.989999999999995 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 99.989999999999995 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 99.989999999999995 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 99.989999999999995 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 99.989999999999995 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 99.989999999999995 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 99.989999999999995 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.483 ' CG2' ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 99.989999999999995 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 99.989999999999995 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 99.989999999999995 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 99.989999999999995 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 99.989999999999995 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 99.989999999999995 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 99.989999999999995 111.775 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.498 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.095 0.474 . . . . 99.989999999999995 110.856 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 99.989999999999995 111.876 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 99.989999999999995 110.963 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.492 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 99.989999999999995 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 99.989999999999995 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 99.989999999999995 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 99.989999999999995 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 99.989999999999995 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 99.989999999999995 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 99.989999999999995 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 99.989999999999995 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 99.989999999999995 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 99.989999999999995 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 99.989999999999995 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 99.989999999999995 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 99.989999999999995 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 99.989999999999995 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 99.989999999999995 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 99.989999999999995 109.965 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 99.989999999999995 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 99.989999999999995 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 99.989999999999995 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 99.989999999999995 111.912 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 99.989999999999995 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 99.989999999999995 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 99.989999999999995 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 99.989999999999995 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 99.989999999999995 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 99.989999999999995 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 99.989999999999995 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 99.989999999999995 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 99.989999999999995 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 99.989999999999995 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 99.989999999999995 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 99.989999999999995 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 99.989999999999995 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 99.989999999999995 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 99.989999999999995 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 99.989999999999995 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 99.989999999999995 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 99.989999999999995 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 99.989999999999995 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 99.989999999999995 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 99.989999999999995 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 99.989999999999995 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.5 mm-40 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 99.989999999999995 110.0 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.691 0.282 . . . . 99.989999999999995 111.663 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 99.989999999999995 111.805 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 111.276 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 99.989999999999995 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 99.989999999999995 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 99.989999999999995 107.397 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 99.989999999999995 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 99.989999999999995 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 99.989999999999995 109.637 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 99.989999999999995 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 99.989999999999995 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 99.989999999999995 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 99.989999999999995 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 99.989999999999995 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 99.989999999999995 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 99.989999999999995 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 99.989999999999995 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 99.989999999999995 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 99.989999999999995 110.452 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 99.989999999999995 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 99.989999999999995 110.647 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 99.989999999999995 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 99.989999999999995 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 99.989999999999995 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 99.989999999999995 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 99.989999999999995 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 99.989999999999995 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 99.989999999999995 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 99.989999999999995 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 99.989999999999995 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 99.989999999999995 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 99.989999999999995 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 99.989999999999995 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 99.989999999999995 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 99.989999999999995 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 99.989999999999995 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 99.989999999999995 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 99.989999999999995 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 99.989999999999995 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.529 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 99.989999999999995 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 99.989999999999995 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 99.989999999999995 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.421 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 99.989999999999995 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 99.989999999999995 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 99.989999999999995 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 99.989999999999995 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 99.989999999999995 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 99.989999999999995 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 4.7 mm-40 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 111.463 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.8 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.668 0.27 . . . . 99.989999999999995 111.489 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 99.989999999999995 111.776 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 110.982 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.531 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 99.989999999999995 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 99.989999999999995 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 99.989999999999995 107.415 173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 99.989999999999995 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 99.989999999999995 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 99.989999999999995 109.691 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 99.989999999999995 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 99.989999999999995 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 99.989999999999995 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 99.989999999999995 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 99.989999999999995 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 99.989999999999995 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 111.316 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 99.989999999999995 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 99.989999999999995 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 99.989999999999995 110.075 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 99.989999999999995 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 99.989999999999995 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 99.989999999999995 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 99.989999999999995 111.368 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 99.989999999999995 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 99.989999999999995 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 99.989999999999995 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 99.989999999999995 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 99.989999999999995 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 99.989999999999995 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 99.989999999999995 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 99.989999999999995 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 99.989999999999995 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 99.989999999999995 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 99.989999999999995 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 99.989999999999995 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.47 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 99.989999999999995 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 99.989999999999995 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 99.989999999999995 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 99.989999999999995 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.532 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 99.989999999999995 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 99.989999999999995 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 99.989999999999995 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 99.989999999999995 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.531 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 99.989999999999995 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 99.989999999999995 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 99.989999999999995 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 99.989999999999995 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 99.989999999999995 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 99.989999999999995 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 99.989999999999995 111.501 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.492 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.145 0.498 . . . . 99.989999999999995 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 99.989999999999995 111.929 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 99.989999999999995 110.965 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 99.989999999999995 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 99.989999999999995 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 99.989999999999995 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 99.989999999999995 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 99.989999999999995 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 99.989999999999995 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 99.989999999999995 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 99.989999999999995 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 99.989999999999995 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 99.989999999999995 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 99.989999999999995 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 99.989999999999995 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 99.989999999999995 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 99.989999999999995 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 99.989999999999995 110.088 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 99.989999999999995 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 99.989999999999995 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 99.989999999999995 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 99.989999999999995 111.824 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 99.989999999999995 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 99.989999999999995 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 99.989999999999995 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 99.989999999999995 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 99.989999999999995 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 99.989999999999995 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 99.989999999999995 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 99.989999999999995 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 99.989999999999995 111.637 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 99.989999999999995 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 99.989999999999995 111.357 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 99.989999999999995 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 99.989999999999995 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 99.989999999999995 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 99.989999999999995 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 99.989999999999995 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 99.989999999999995 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 99.989999999999995 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 99.989999999999995 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 99.989999999999995 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 99.989999999999995 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 99.989999999999995 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 99.989999999999995 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 99.989999999999995 110.288 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.261 0.553 . . . . 99.989999999999995 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 99.989999999999995 111.828 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 99.989999999999995 111.016 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 99.989999999999995 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 99.989999999999995 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 99.989999999999995 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 99.989999999999995 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 99.989999999999995 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 99.989999999999995 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 99.989999999999995 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 99.989999999999995 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 99.989999999999995 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 99.989999999999995 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 99.989999999999995 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 99.989999999999995 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 99.989999999999995 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 99.989999999999995 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 99.989999999999995 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 99.989999999999995 110.094 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 99.989999999999995 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 99.989999999999995 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 99.989999999999995 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 99.989999999999995 111.952 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 99.989999999999995 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 99.989999999999995 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 99.989999999999995 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 99.989999999999995 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 99.989999999999995 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 99.989999999999995 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 99.989999999999995 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 99.989999999999995 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 99.989999999999995 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 99.989999999999995 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 99.989999999999995 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 99.989999999999995 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 99.989999999999995 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 99.989999999999995 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.534 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 99.989999999999995 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 99.989999999999995 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 99.989999999999995 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 99.989999999999995 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 99.989999999999995 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 99.989999999999995 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 99.989999999999995 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 99.989999999999995 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 99.989999999999995 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 99.989999999999995 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 . . . . . 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 109.837 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.024 0.44 . . . . 99.989999999999995 111.372 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 99.989999999999995 111.917 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 99.989999999999995 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 99.989999999999995 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 99.989999999999995 107.392 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 99.989999999999995 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 99.989999999999995 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 99.989999999999995 109.553 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 99.989999999999995 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 99.989999999999995 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 99.989999999999995 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.5 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 99.989999999999995 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 99.989999999999995 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 99.989999999999995 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 99.989999999999995 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 99.989999999999995 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 99.989999999999995 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 99.989999999999995 109.819 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 99.989999999999995 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 99.989999999999995 110.691 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 99.989999999999995 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 99.989999999999995 111.675 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 99.989999999999995 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 99.989999999999995 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 99.989999999999995 111.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 99.989999999999995 110.88 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 25' ' ' THR . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 99.989999999999995 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 99.989999999999995 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 99.989999999999995 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 99.989999999999995 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 99.989999999999995 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 99.989999999999995 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 99.989999999999995 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 99.989999999999995 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 99.989999999999995 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.53 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 99.989999999999995 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 99.989999999999995 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 99.989999999999995 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 99.989999999999995 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 99.989999999999995 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 99.989999999999995 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 99.989999999999995 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 99.989999999999995 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 99.989999999999995 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 99.989999999999995 111.285 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.471 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.856 0.36 . . . . 99.989999999999995 111.264 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 99.989999999999995 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.064 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 99.989999999999995 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 99.989999999999995 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 99.989999999999995 108.337 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 99.989999999999995 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 99.989999999999995 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 99.989999999999995 109.782 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 99.989999999999995 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 99.989999999999995 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 99.989999999999995 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 99.989999999999995 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 99.989999999999995 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 99.989999999999995 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 99.989999999999995 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 99.989999999999995 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 99.989999999999995 109.912 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 99.989999999999995 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 99.989999999999995 111.239 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 99.989999999999995 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 99.989999999999995 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 111.324 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 99.989999999999995 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 99.989999999999995 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 99.989999999999995 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 99.989999999999995 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 99.989999999999995 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 99.989999999999995 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 99.989999999999995 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 99.989999999999995 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 99.989999999999995 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 99.989999999999995 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 99.989999999999995 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 99.989999999999995 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.526 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 99.989999999999995 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 99.989999999999995 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 99.989999999999995 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 99.989999999999995 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.541 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 99.989999999999995 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 99.989999999999995 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 99.989999999999995 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 99.989999999999995 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 99.989999999999995 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 99.989999999999995 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 . . . . . 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 99.989999999999995 109.964 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.153 0.501 . . . . 99.989999999999995 110.926 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 99.989999999999995 111.916 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 99.989999999999995 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 99.989999999999995 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 99.989999999999995 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 99.989999999999995 107.454 173.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 99.989999999999995 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 99.989999999999995 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' ' ND1' ' A' ' 15' ' ' HIS . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 99.989999999999995 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 99.989999999999995 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 99.989999999999995 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 99.989999999999995 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.514 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 99.989999999999995 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 99.989999999999995 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 99.989999999999995 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 99.989999999999995 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 99.989999999999995 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 99.989999999999995 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 99.989999999999995 110.471 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 99.989999999999995 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 99.989999999999995 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 99.989999999999995 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 99.989999999999995 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 99.989999999999995 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CD ' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 99.989999999999995 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 99.989999999999995 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 99.989999999999995 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 99.989999999999995 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 99.989999999999995 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 99.989999999999995 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 99.989999999999995 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 99.989999999999995 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 99.989999999999995 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 99.989999999999995 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 99.989999999999995 111.301 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 99.989999999999995 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 99.989999999999995 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 99.989999999999995 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 99.989999999999995 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 99.989999999999995 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 99.989999999999995 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.513 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 99.989999999999995 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 99.989999999999995 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 99.989999999999995 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 99.989999999999995 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 99.989999999999995 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 99.989999999999995 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 . . . . . 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 99.989999999999995 110.215 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 2.9 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.049 0.452 . . . . 99.989999999999995 111.43 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 99.989999999999995 112.151 -178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 99.989999999999995 111.33 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 99.989999999999995 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 99.989999999999995 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 99.989999999999995 107.674 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 99.989999999999995 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 99.989999999999995 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 99.989999999999995 109.761 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 99.989999999999995 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 99.989999999999995 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 99.989999999999995 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 99.989999999999995 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 99.989999999999995 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 99.989999999999995 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 99.989999999999995 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 99.989999999999995 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 99.989999999999995 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 99.989999999999995 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 99.989999999999995 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 99.989999999999995 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 99.989999999999995 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 99.989999999999995 111.176 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 99.989999999999995 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 99.989999999999995 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 99.989999999999995 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 99.989999999999995 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 99.989999999999995 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 99.989999999999995 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 99.989999999999995 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 99.989999999999995 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 99.989999999999995 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 99.989999999999995 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 99.989999999999995 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 99.989999999999995 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 99.989999999999995 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 99.989999999999995 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 99.989999999999995 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 99.989999999999995 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 99.989999999999995 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 99.989999999999995 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.551 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 99.989999999999995 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 99.989999999999995 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 99.989999999999995 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 99.989999999999995 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 99.989999999999995 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 99.989999999999995 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 99.989999999999995 110.42 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.469 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.917 0.389 . . . . 99.989999999999995 111.522 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 99.989999999999995 111.69 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 99.989999999999995 111.406 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 99.989999999999995 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 99.989999999999995 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 99.989999999999995 107.744 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 99.989999999999995 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 99.989999999999995 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 99.989999999999995 109.704 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 99.989999999999995 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 99.989999999999995 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 99.989999999999995 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 99.989999999999995 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' ' CB ' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 99.989999999999995 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 99.989999999999995 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 99.989999999999995 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 99.989999999999995 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 99.989999999999995 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 99.989999999999995 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 22' ' ' ARG . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 99.989999999999995 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 99.989999999999995 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 99.989999999999995 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 99.989999999999995 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 99.989999999999995 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 99.989999999999995 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 99.989999999999995 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.488 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 99.989999999999995 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 99.989999999999995 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 99.989999999999995 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 99.989999999999995 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 99.989999999999995 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 99.989999999999995 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 99.989999999999995 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 99.989999999999995 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 99.989999999999995 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 99.989999999999995 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 99.989999999999995 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 99.989999999999995 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 99.989999999999995 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.554 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 99.989999999999995 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 99.989999999999995 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 99.989999999999995 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 99.989999999999995 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 99.989999999999995 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 mm100 . . . . . 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 99.989999999999995 111.189 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.624 0.249 . . . . 99.989999999999995 111.669 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 99.989999999999995 111.434 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.862 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 99.989999999999995 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 99.989999999999995 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 99.989999999999995 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 99.989999999999995 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 99.989999999999995 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 99.989999999999995 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 99.989999999999995 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 99.989999999999995 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 99.989999999999995 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 99.989999999999995 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 99.989999999999995 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 99.989999999999995 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 99.989999999999995 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 99.989999999999995 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 99.989999999999995 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 99.989999999999995 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 99.989999999999995 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 99.989999999999995 110.567 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 99.989999999999995 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 99.989999999999995 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 99.989999999999995 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 99.989999999999995 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 99.989999999999995 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 99.989999999999995 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 99.989999999999995 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 99.989999999999995 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 99.989999999999995 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 99.989999999999995 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 99.989999999999995 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 99.989999999999995 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 99.989999999999995 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 99.989999999999995 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 99.989999999999995 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 99.989999999999995 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 99.989999999999995 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 99.989999999999995 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.602 ' CE ' ' HA ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 99.989999999999995 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 99.989999999999995 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 99.989999999999995 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 99.989999999999995 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 99.989999999999995 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.536 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 99.989999999999995 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 99.989999999999995 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 99.989999999999995 111.66 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 99.989999999999995 111.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.3 t -137.09 79.89 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 99.989999999999995 110.968 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -28.67 9.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.89 -15.22 63.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 99.989999999999995 111.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 99.989999999999995 111.509 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 99.989999999999995 111.081 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 99.989999999999995 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 99.989999999999995 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 99.989999999999995 107.339 172.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 99.989999999999995 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 99.989999999999995 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 99.989999999999995 109.778 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 99.989999999999995 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 99.989999999999995 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 99.989999999999995 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 99.989999999999995 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 99.989999999999995 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 99.989999999999995 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 99.989999999999995 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 99.989999999999995 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 99.989999999999995 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 99.989999999999995 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 99.989999999999995 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 99.989999999999995 110.835 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 99.989999999999995 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 99.989999999999995 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 99.989999999999995 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 99.989999999999995 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 99.989999999999995 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 99.989999999999995 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 99.989999999999995 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 99.989999999999995 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 99.989999999999995 108.814 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 99.989999999999995 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 99.989999999999995 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 99.989999999999995 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG2' ' CE ' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 99.989999999999995 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 99.989999999999995 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 99.989999999999995 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 99.989999999999995 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 99.989999999999995 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 99.989999999999995 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 99.989999999999995 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 99.989999999999995 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 99.989999999999995 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 99.989999999999995 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.502 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 99.989999999999995 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 99.989999999999995 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 99.989999999999995 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -82.87 -21.99 34.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.298 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.486 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 68.9 p -45.87 158.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 99.989999999999995 111.59 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.81 37.0 1.91 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.057 -0.592 . . . . 99.989999999999995 113.176 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 ttm -49.5 -25.66 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 99.989999999999995 111.077 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.4 m -114.11 39.29 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.83 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 19.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.779 0.323 . . . . 99.989999999999995 111.212 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.41 ' CG2' ' HB3' ' A' ' 56' ' ' MET . 0.2 OUTLIER 68.19 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.875 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -115.51 50.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.99 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 mp0 -62.64 -24.78 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 99.989999999999995 111.003 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 99.989999999999995 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 99.989999999999995 111.19 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 99.989999999999995 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 99.989999999999995 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 99.989999999999995 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 99.989999999999995 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 99.989999999999995 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 99.989999999999995 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 99.989999999999995 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 99.989999999999995 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 99.989999999999995 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 99.989999999999995 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 99.989999999999995 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 99.989999999999995 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 99.989999999999995 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 99.989999999999995 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 99.989999999999995 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 99.989999999999995 110.174 178.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 99.989999999999995 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 99.989999999999995 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 99.989999999999995 111.686 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 99.989999999999995 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 99.989999999999995 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 99.989999999999995 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 99.989999999999995 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 99.989999999999995 111.531 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 99.989999999999995 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 99.989999999999995 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 99.989999999999995 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 99.989999999999995 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 99.989999999999995 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 99.989999999999995 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 99.989999999999995 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 99.989999999999995 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 99.989999999999995 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 99.989999999999995 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 99.989999999999995 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 99.989999999999995 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 99.989999999999995 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 99.989999999999995 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 99.989999999999995 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 99.989999999999995 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 99.989999999999995 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 99.989999999999995 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 99.989999999999995 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 -76.78 -89.46 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 99.989999999999995 110.369 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.477 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 31.4 p 51.53 164.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.206 0.527 . . . . 99.989999999999995 111.867 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.98 -93.29 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.825 -0.702 . . . . 99.989999999999995 112.677 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' THR . 7.1 tpp 54.49 79.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 99.989999999999995 111.043 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -161.99 118.35 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 99.989999999999995 110.992 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 99.989999999999995 111.047 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.778 0.323 . . . . 99.989999999999995 111.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -143.75 58.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 99.989999999999995 110.946 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -139.75 56.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 99.989999999999995 111.282 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.495 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -100.36 -17.82 17.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 99.989999999999995 111.55 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 99.989999999999995 112.167 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 110.851 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 99.989999999999995 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 99.989999999999995 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 99.989999999999995 107.502 172.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 99.989999999999995 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.534 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 99.989999999999995 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 99.989999999999995 109.713 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 99.989999999999995 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 99.989999999999995 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 99.989999999999995 108.14 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 99.989999999999995 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 99.989999999999995 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 99.989999999999995 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 99.989999999999995 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 99.989999999999995 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 99.989999999999995 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 99.989999999999995 110.267 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 99.989999999999995 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 99.989999999999995 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 99.989999999999995 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 99.989999999999995 112.053 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 99.989999999999995 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 99.989999999999995 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 99.989999999999995 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 99.989999999999995 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 99.989999999999995 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 99.989999999999995 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.52 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 99.989999999999995 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 99.989999999999995 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.401 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 99.989999999999995 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 99.989999999999995 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 99.989999999999995 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 99.989999999999995 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 99.989999999999995 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 99.989999999999995 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 99.989999999999995 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 99.989999999999995 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 99.989999999999995 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 99.989999999999995 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.534 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 99.989999999999995 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 99.989999999999995 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 99.989999999999995 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 99.989999999999995 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 99.989999999999995 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 99.989999999999995 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 54' ' ' THR . 2.6 mm-40 -71.93 -104.37 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 99.989999999999995 109.725 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 70.2 p 54.43 161.09 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.021 0.438 . . . . 99.989999999999995 111.965 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' A' ' 2' ' ' THR . . . 51.45 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.594 -0.812 . . . . 99.989999999999995 112.199 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' THR . 10.4 tpp 57.43 89.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 99.989999999999995 111.036 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.8 m -118.97 -36.84 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.582 . . . . 99.989999999999995 110.944 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.929 0.395 . . . . 99.989999999999995 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t -163.67 118.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.542 . . . . 99.989999999999995 110.589 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 44.07 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 99.989999999999995 111.468 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -105.83 -21.39 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.401 0.62 . . . . 99.989999999999995 110.776 178.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 99.989999999999995 112.448 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 99.989999999999995 111.132 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 99.989999999999995 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 99.989999999999995 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 99.989999999999995 107.103 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 99.989999999999995 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' HG2' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 99.989999999999995 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 99.989999999999995 109.647 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 99.989999999999995 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 99.989999999999995 110.512 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 99.989999999999995 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 99.989999999999995 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD2' ' CB ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 99.989999999999995 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 99.989999999999995 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 99.989999999999995 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 99.989999999999995 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 99.989999999999995 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 99.989999999999995 110.386 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 99.989999999999995 110.704 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 99.989999999999995 111.042 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 99.989999999999995 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 99.989999999999995 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 99.989999999999995 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HE2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 99.989999999999995 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 99.989999999999995 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 99.989999999999995 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 99.989999999999995 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 99.989999999999995 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 99.989999999999995 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 99.989999999999995 110.236 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 99.989999999999995 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 99.989999999999995 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 99.989999999999995 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' LYS . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 99.989999999999995 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 99.989999999999995 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 99.989999999999995 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 99.989999999999995 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 99.989999999999995 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 99.989999999999995 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 99.989999999999995 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.483 ' CG2' ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 99.989999999999995 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 99.989999999999995 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 99.989999999999995 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 99.989999999999995 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 99.989999999999995 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 99.989999999999995 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -85.25 -18.75 33.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 99.989999999999995 111.775 178.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.501 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 72.9 p -37.8 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.628 0.603 . . . . 99.989999999999995 112.628 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 33.95 1.63 Allowed Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.003 -0.618 . . . . 99.989999999999995 112.937 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.417 ' CE ' ' O ' ' A' ' 53' ' ' GLN . 11.4 tpp -49.78 122.43 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 99.989999999999995 111.2 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -149.35 102.64 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 99.989999999999995 110.845 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 99.989999999999995 110.94 -179.746 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t 177.78 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.406 . . . . 99.989999999999995 111.081 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.15 72.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 99.989999999999995 111.106 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.498 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -98.51 -17.39 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 99.989999999999995 110.856 178.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 99.989999999999995 111.876 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 99.989999999999995 110.963 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 99.989999999999995 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 99.989999999999995 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 99.989999999999995 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 99.989999999999995 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 99.989999999999995 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 99.989999999999995 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 99.989999999999995 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 99.989999999999995 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 99.989999999999995 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.504 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 99.989999999999995 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 99.989999999999995 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 99.989999999999995 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 99.989999999999995 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 99.989999999999995 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 99.989999999999995 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 99.989999999999995 109.965 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 99.989999999999995 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 99.989999999999995 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 99.989999999999995 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 99.989999999999995 111.912 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 99.989999999999995 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 99.989999999999995 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 99.989999999999995 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 99.989999999999995 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 99.989999999999995 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 99.989999999999995 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 99.989999999999995 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 99.989999999999995 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 99.989999999999995 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 99.989999999999995 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 99.989999999999995 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 99.989999999999995 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 99.989999999999995 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 99.989999999999995 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 99.989999999999995 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 99.989999999999995 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 99.989999999999995 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 99.989999999999995 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 99.989999999999995 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 99.989999999999995 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 99.989999999999995 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 99.989999999999995 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.5 mm-40 -73.2 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 99.989999999999995 110.0 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.466 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 76.2 p 54.92 155.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.274 0.559 . . . . 99.989999999999995 112.229 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.3 30.07 0.75 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.859 -0.61 . . . . 99.989999999999995 113.193 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 130.79 43.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 99.989999999999995 111.021 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 61.13 124.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 99.989999999999995 110.986 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.805 0.336 . . . . 99.989999999999995 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.8 m 65.2 33.69 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.87 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HB3' ' NH1' ' A' ' 3' ' ' ARG . 3.8 mmm180 -107.72 -23.91 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 110.971 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -70.75 -14.92 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 99.989999999999995 111.663 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 99.989999999999995 111.805 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 111.276 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 99.989999999999995 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 99.989999999999995 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 99.989999999999995 107.397 173.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 99.989999999999995 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 99.989999999999995 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 99.989999999999995 109.637 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 99.989999999999995 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 99.989999999999995 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 99.989999999999995 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 99.989999999999995 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 99.989999999999995 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 99.989999999999995 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 99.989999999999995 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 99.989999999999995 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 99.989999999999995 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 99.989999999999995 110.452 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 99.989999999999995 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 99.989999999999995 110.647 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 99.989999999999995 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 99.989999999999995 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 99.989999999999995 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HE2' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 99.989999999999995 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 99.989999999999995 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 99.989999999999995 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 99.989999999999995 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 99.989999999999995 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 99.989999999999995 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 99.989999999999995 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 99.989999999999995 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 99.989999999999995 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 99.989999999999995 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 99.989999999999995 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 99.989999999999995 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 99.989999999999995 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 99.989999999999995 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 99.989999999999995 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.529 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 99.989999999999995 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 99.989999999999995 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 99.989999999999995 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.421 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 99.989999999999995 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 99.989999999999995 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 99.989999999999995 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 99.989999999999995 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 99.989999999999995 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 99.989999999999995 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 4.7 mm-40 -82.39 -17.33 45.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 111.463 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.501 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 81.5 p -43.5 155.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 99.989999999999995 111.676 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.42 36.62 11.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.836 -0.697 . . . . 99.989999999999995 112.652 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.73 -37.54 29.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 99.989999999999995 111.061 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -108.29 120.83 43.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 99.989999999999995 110.949 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 99.989999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.843 0.354 . . . . 99.989999999999995 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 p -99.55 51.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 99.989999999999995 110.948 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -85.86 -70.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 99.989999999999995 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.438 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.8 mp0 -64.49 -15.04 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 99.989999999999995 111.489 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 99.989999999999995 111.776 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 110.982 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 99.989999999999995 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 99.989999999999995 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 99.989999999999995 107.415 173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 99.989999999999995 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 99.989999999999995 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 99.989999999999995 109.691 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 99.989999999999995 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 99.989999999999995 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 99.989999999999995 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.513 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 99.989999999999995 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 99.989999999999995 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 99.989999999999995 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 111.316 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 99.989999999999995 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 99.989999999999995 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 99.989999999999995 110.075 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 99.989999999999995 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 99.989999999999995 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 99.989999999999995 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 99.989999999999995 111.368 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 99.989999999999995 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 99.989999999999995 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 99.989999999999995 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 99.989999999999995 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 99.989999999999995 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 99.989999999999995 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 99.989999999999995 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 99.989999999999995 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 99.989999999999995 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 99.989999999999995 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 99.989999999999995 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 99.989999999999995 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.47 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 99.989999999999995 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 99.989999999999995 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 99.989999999999995 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 99.989999999999995 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 99.989999999999995 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 99.989999999999995 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 99.989999999999995 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.491 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 99.989999999999995 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.531 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 99.989999999999995 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 99.989999999999995 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 99.989999999999995 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.531 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 99.989999999999995 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 99.989999999999995 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 99.989999999999995 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 -85.0 -18.19 35.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 99.989999999999995 111.501 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.496 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 81.2 p -41.38 155.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.385 -0.37 . . . . 99.989999999999995 111.739 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.33 39.4 13.91 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.828 -0.701 . . . . 99.989999999999995 112.706 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.9 tpp -56.44 133.87 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 99.989999999999995 111.001 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -137.36 102.67 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.783 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 110.857 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.746 0.308 . . . . 99.989999999999995 111.243 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.434 ' CG2' ' HA2' ' A' ' 55' ' ' GLY . 34.2 m 50.49 76.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 99.989999999999995 110.9 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -133.4 14.15 4.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 99.989999999999995 111.665 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.492 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 1.1 mp0 -110.03 -22.07 11.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.145 0.498 . . . . 99.989999999999995 111.022 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 99.989999999999995 111.929 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 99.989999999999995 110.965 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 99.989999999999995 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 99.989999999999995 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 99.989999999999995 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 99.989999999999995 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 99.989999999999995 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 99.989999999999995 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 99.989999999999995 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 99.989999999999995 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 99.989999999999995 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 99.989999999999995 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 99.989999999999995 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 99.989999999999995 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 99.989999999999995 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 99.989999999999995 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 99.989999999999995 110.088 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 99.989999999999995 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 99.989999999999995 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 99.989999999999995 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 99.989999999999995 111.824 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 99.989999999999995 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 99.989999999999995 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 99.989999999999995 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 99.989999999999995 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 99.989999999999995 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 99.989999999999995 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 99.989999999999995 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 99.989999999999995 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 99.989999999999995 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 99.989999999999995 111.637 -178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 99.989999999999995 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.487 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 99.989999999999995 111.357 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 99.989999999999995 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 99.989999999999995 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 99.989999999999995 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 99.989999999999995 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 99.989999999999995 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 99.989999999999995 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 99.989999999999995 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 99.989999999999995 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 99.989999999999995 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 99.989999999999995 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 99.989999999999995 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 99.989999999999995 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 -74.47 -97.46 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 99.989999999999995 110.288 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 5' ' ' GLU . 67.1 p 54.15 155.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.273 0.559 . . . . 99.989999999999995 112.286 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.434 ' HA2' ' CG2' ' A' ' 2' ' ' THR . . . 41.85 28.79 0.47 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.93 -0.577 . . . . 99.989999999999995 113.212 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 tpp -67.94 114.87 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 99.989999999999995 110.933 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -99.08 109.51 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 110.931 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.424 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 99.989999999999995 110.989 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 99.989999999999995 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.8 p -97.45 173.25 7.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 110.93 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -140.59 -52.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.443 . . . . 99.989999999999995 111.135 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -83.84 -19.41 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.261 0.553 . . . . 99.989999999999995 110.366 178.321 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 99.989999999999995 111.828 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 99.989999999999995 111.016 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 99.989999999999995 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 99.989999999999995 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 99.989999999999995 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 99.989999999999995 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 99.989999999999995 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 99.989999999999995 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 99.989999999999995 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 99.989999999999995 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 99.989999999999995 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 99.989999999999995 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 99.989999999999995 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 99.989999999999995 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 99.989999999999995 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 99.989999999999995 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 99.989999999999995 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 99.989999999999995 110.094 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 99.989999999999995 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 99.989999999999995 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.57 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 99.989999999999995 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 99.989999999999995 111.952 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 99.989999999999995 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 99.989999999999995 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 99.989999999999995 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 99.989999999999995 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 99.989999999999995 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 25' ' ' THR . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 99.989999999999995 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 99.989999999999995 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.534 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 99.989999999999995 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 99.989999999999995 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 99.989999999999995 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 99.989999999999995 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 99.989999999999995 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 99.989999999999995 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 99.989999999999995 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.534 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 99.989999999999995 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 99.989999999999995 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 99.989999999999995 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 99.989999999999995 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 99.989999999999995 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 99.989999999999995 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 99.989999999999995 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 99.989999999999995 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 99.989999999999995 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 99.989999999999995 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 -71.67 -106.83 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 109.837 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 5' ' ' GLU . 43.9 p 55.48 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.464 . . . . 99.989999999999995 112.192 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.22 39.44 3.08 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.073 -0.584 . . . . 99.989999999999995 113.113 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.461 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.36 105.15 5.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 119.62 -0.229 . . . . 99.989999999999995 110.566 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.461 ' CB ' ' HA ' ' A' ' 56' ' ' MET . 0.2 OUTLIER 66.85 -162.48 0.23 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.333 1.053 . . . . 99.989999999999995 111.759 0.003 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.422 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 99.989999999999995 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.829 0.347 . . . . 99.989999999999995 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 110.895 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -107.78 -51.02 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 110.883 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.17 -15.24 63.59 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.088 -0.505 . . . . 99.989999999999995 111.372 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 99.989999999999995 111.917 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 99.989999999999995 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 99.989999999999995 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 99.989999999999995 107.392 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 99.989999999999995 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 99.989999999999995 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 99.989999999999995 109.553 177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 99.989999999999995 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 99.989999999999995 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 99.989999999999995 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.5 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 99.989999999999995 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 99.989999999999995 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 99.989999999999995 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 99.989999999999995 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 99.989999999999995 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 99.989999999999995 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 99.989999999999995 109.819 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 99.989999999999995 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 99.989999999999995 110.691 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 99.989999999999995 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 99.989999999999995 111.675 -178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 99.989999999999995 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.559 ' HE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 99.989999999999995 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 99.989999999999995 111.289 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 99.989999999999995 110.88 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 25' ' ' THR . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 99.989999999999995 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 99.989999999999995 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.53 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 99.989999999999995 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 99.989999999999995 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 99.989999999999995 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 99.989999999999995 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 99.989999999999995 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 99.989999999999995 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 99.989999999999995 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.53 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 99.989999999999995 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 99.989999999999995 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 99.989999999999995 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 99.989999999999995 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 99.989999999999995 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 99.989999999999995 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 99.989999999999995 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 99.989999999999995 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 99.989999999999995 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 -75.37 -26.2 58.32 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 99.989999999999995 111.285 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.508 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 63.3 p -38.29 160.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 99.989999999999995 112.346 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.1 -63.68 4.27 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.712 -0.756 . . . . 99.989999999999995 112.392 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.436 ' CE ' ' HB2' ' A' ' 4' ' ' GLN . 0.6 OUTLIER 31.92 45.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.601 . . . . 99.989999999999995 112.51 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -84.25 121.9 28.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 99.989999999999995 110.98 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 20.4 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.922 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.787 0.327 . . . . 99.989999999999995 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -51.02 135.66 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 99.989999999999995 110.741 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 15.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 99.989999999999995 111.749 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -105.83 -15.29 14.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.856 0.36 . . . . 99.989999999999995 111.264 178.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 99.989999999999995 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.064 -177.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 99.989999999999995 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.462 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 99.989999999999995 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 99.989999999999995 108.337 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 99.989999999999995 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 99.989999999999995 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 99.989999999999995 109.782 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 99.989999999999995 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 99.989999999999995 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 99.989999999999995 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 99.989999999999995 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 99.989999999999995 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 99.989999999999995 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 99.989999999999995 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 99.989999999999995 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 99.989999999999995 109.912 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 99.989999999999995 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 99.989999999999995 111.239 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 99.989999999999995 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 99.989999999999995 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 111.324 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 99.989999999999995 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 99.989999999999995 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 99.989999999999995 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 99.989999999999995 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 99.989999999999995 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 99.989999999999995 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 99.989999999999995 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 99.989999999999995 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 99.989999999999995 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 99.989999999999995 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 99.989999999999995 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 99.989999999999995 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.526 ' CD1' ' CG ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 99.989999999999995 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 99.989999999999995 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 99.989999999999995 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 99.989999999999995 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.541 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 99.989999999999995 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 99.989999999999995 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 99.989999999999995 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 99.989999999999995 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 99.989999999999995 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 99.989999999999995 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 -73.26 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 99.989999999999995 109.964 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 66.6 p 52.69 163.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.904 0.383 . . . . 99.989999999999995 111.694 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.41 28.47 0.58 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.031 -0.604 . . . . 99.989999999999995 113.0 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tpp -74.26 96.62 2.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 99.989999999999995 111.148 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.1 m -98.61 -31.59 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 99.989999999999995 110.902 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 111.037 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.801 0.334 . . . . 99.989999999999995 111.222 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -160.53 -164.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 99.989999999999995 110.846 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.94 68.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 99.989999999999995 111.01 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -100.1 -21.47 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.153 0.501 . . . . 99.989999999999995 110.926 179.116 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 54' ' ' THR . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 99.989999999999995 111.916 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 99.989999999999995 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.475 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 99.989999999999995 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 99.989999999999995 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 99.989999999999995 107.454 173.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 99.989999999999995 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 99.989999999999995 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HA ' ' ND1' ' A' ' 15' ' ' HIS . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 99.989999999999995 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 99.989999999999995 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 99.989999999999995 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 99.989999999999995 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 99.989999999999995 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 99.989999999999995 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 99.989999999999995 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 99.989999999999995 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 99.989999999999995 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 99.989999999999995 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 99.989999999999995 110.471 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 99.989999999999995 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 99.989999999999995 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 99.989999999999995 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 99.989999999999995 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 99.989999999999995 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' CD ' ' CG2' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 99.989999999999995 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 99.989999999999995 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 99.989999999999995 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 99.989999999999995 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' CG2' ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 99.989999999999995 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 99.989999999999995 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 99.989999999999995 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 99.989999999999995 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 99.989999999999995 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 99.989999999999995 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 99.989999999999995 111.301 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 99.989999999999995 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 99.989999999999995 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 99.989999999999995 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 99.989999999999995 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 99.989999999999995 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 99.989999999999995 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.513 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 99.989999999999995 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 99.989999999999995 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 99.989999999999995 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' ' CG ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 99.989999999999995 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 99.989999999999995 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 99.989999999999995 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -74.2 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 99.989999999999995 110.215 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 70.2 p 53.99 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.256 0.551 . . . . 99.989999999999995 112.382 177.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.16 28.5 0.52 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.854 -0.612 . . . . 99.989999999999995 113.195 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.77 63.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 99.989999999999995 110.949 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.91 109.97 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 99.989999999999995 111.025 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.946 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 2' ' ' THR . 16.1 ttm . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.684 0.278 . . . . 99.989999999999995 111.216 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 1' ' ' MET . 6.7 t 48.69 179.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 99.989999999999995 111.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.03 35.15 2.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 99.989999999999995 111.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' A' ' 50' ' ' LEU . 2.9 mp0 -65.27 -15.8 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.049 0.452 . . . . 99.989999999999995 111.43 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 99.989999999999995 112.151 -178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 99.989999999999995 111.33 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 99.989999999999995 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 99.989999999999995 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 99.989999999999995 107.674 173.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 99.989999999999995 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 99.989999999999995 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 99.989999999999995 109.761 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 99.989999999999995 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 99.989999999999995 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 99.989999999999995 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 99.989999999999995 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' N ' ' HB2' ' A' ' 21' ' ' LYS . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 99.989999999999995 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 99.989999999999995 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 99.989999999999995 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 99.989999999999995 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 99.989999999999995 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 99.989999999999995 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.447 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 99.989999999999995 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 99.989999999999995 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 99.989999999999995 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 99.989999999999995 111.176 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 99.989999999999995 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 99.989999999999995 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 99.989999999999995 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 99.989999999999995 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 99.989999999999995 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 99.989999999999995 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 99.989999999999995 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.522 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 99.989999999999995 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 99.989999999999995 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 99.989999999999995 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 99.989999999999995 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 99.989999999999995 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 99.989999999999995 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 99.989999999999995 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 99.989999999999995 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 99.989999999999995 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 99.989999999999995 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 99.989999999999995 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.551 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 99.989999999999995 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 99.989999999999995 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 99.989999999999995 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 99.989999999999995 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 99.989999999999995 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 99.989999999999995 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 -78.67 -79.38 0.13 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 99.989999999999995 110.42 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.479 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 9.9 p 49.42 169.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 99.989999999999995 112.03 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.06 -93.94 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.671 -0.776 . . . . 99.989999999999995 112.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 54' ' ' THR . 2.7 ttm 46.07 87.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 99.989999999999995 111.217 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m 69.79 103.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 110.763 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.873 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.908 0.385 . . . . 99.989999999999995 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.9 p -68.89 -160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 99.989999999999995 110.902 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.78 -48.59 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 99.989999999999995 111.388 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.469 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -64.31 -15.88 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 99.989999999999995 111.522 -178.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 99.989999999999995 111.69 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 99.989999999999995 111.406 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 99.989999999999995 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 99.989999999999995 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 99.989999999999995 107.744 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 99.989999999999995 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 99.989999999999995 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 99.989999999999995 109.704 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 99.989999999999995 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 99.989999999999995 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 99.989999999999995 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 99.989999999999995 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' ' CB ' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 99.989999999999995 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 99.989999999999995 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 99.989999999999995 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 99.989999999999995 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HB2' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 99.989999999999995 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 99.989999999999995 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 22' ' ' ARG . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 99.989999999999995 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 99.989999999999995 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' HB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 99.989999999999995 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 99.989999999999995 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 99.989999999999995 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 99.989999999999995 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 99.989999999999995 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.488 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 99.989999999999995 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 99.989999999999995 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.523 ' CE1' ' HG ' ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 99.989999999999995 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 99.989999999999995 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 99.989999999999995 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 99.989999999999995 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 99.989999999999995 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 99.989999999999995 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 99.989999999999995 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 99.989999999999995 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 99.989999999999995 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 99.989999999999995 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 99.989999999999995 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 99.989999999999995 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.554 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 99.989999999999995 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 99.989999999999995 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 99.989999999999995 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 99.989999999999995 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 99.989999999999995 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 mm100 -76.84 -20.03 56.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 99.989999999999995 111.189 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.513 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 82.3 p -43.05 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 99.989999999999995 111.613 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.1 16.32 52.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 99.989999999999995 112.768 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 20.4 tpp -53.78 102.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 99.989999999999995 110.841 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.3 m -70.7 125.46 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 99.989999999999995 110.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.927 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.841 0.353 . . . . 99.989999999999995 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 96.15 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.88 -34.02 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 99.989999999999995 111.07 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -78.6 -15.25 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 99.989999999999995 111.669 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 99.989999999999995 111.434 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.862 -177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' CD1' ' HG ' ' A' ' 50' ' ' LEU . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 99.989999999999995 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 99.989999999999995 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 99.989999999999995 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 99.989999999999995 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 99.989999999999995 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 99.989999999999995 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 99.989999999999995 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 99.989999999999995 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.602 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 99.989999999999995 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 99.989999999999995 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 99.989999999999995 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 99.989999999999995 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 99.989999999999995 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 99.989999999999995 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 99.989999999999995 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 99.989999999999995 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 99.989999999999995 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 99.989999999999995 110.567 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 99.989999999999995 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' NZ ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 99.989999999999995 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 99.989999999999995 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 99.989999999999995 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 99.989999999999995 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 99.989999999999995 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 99.989999999999995 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 99.989999999999995 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 99.989999999999995 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 99.989999999999995 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 99.989999999999995 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 99.989999999999995 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 99.989999999999995 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 99.989999999999995 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' LYS . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 99.989999999999995 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 99.989999999999995 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 99.989999999999995 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' CD1' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 99.989999999999995 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.602 ' CE ' ' HA ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 99.989999999999995 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 99.989999999999995 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 99.989999999999995 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 11' ' ' ARG . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 99.989999999999995 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 99.989999999999995 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.536 ' HG ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 99.989999999999995 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 99.989999999999995 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -83.27 -16.63 45.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 99.989999999999995 111.66 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' CG2' ' CB ' ' A' ' 8' ' ' ALA . 71.9 p -39.89 154.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.089 0.403 . . . . 99.989999999999995 112.089 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.41 35.68 5.44 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.998 -0.62 . . . . 99.989999999999995 112.902 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 53' ' ' GLN . 5.7 ttm -50.28 129.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 99.989999999999995 110.935 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 58.59 22.57 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 99.989999999999995 111.063 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.427 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.971 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 111.31 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.724 HD21 HD11 ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.678 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 172.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 0.0 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 0.0 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' O ' HD21 ' A' ' 17' ' ' LEU . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HG22 ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 0.0 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.835 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 0.0 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.693 HG21 HD12 ' A' ' 7' ' ' LEU . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.814 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.679 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.614 HG22 HG13 ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.701 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.741 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.826 ' O ' HG12 ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.724 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.591 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 0.0 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 0.0 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.127 0.489 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.19 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.786 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 0.0 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 0.0 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 0.0 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.174 178.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.638 ' HA ' HD21 ' A' ' 17' ' ' LEU . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.686 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.959 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.531 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.959 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.809 ' CB ' HD12 ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 0.0 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.964 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 0.0 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 0.0 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 0.0 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.732 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.369 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.925 0.393 . . . . 0.0 111.55 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 110.851 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.713 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.0 t-80 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.801 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 0.0 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.267 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 0.0 112.053 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.847 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.847 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.611 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 0.0 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 0.0 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 0.0 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.771 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 0.0 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.882 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 0.0 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 2.6 mm-40 . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.725 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 121.401 0.62 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 0.0 111.132 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 172.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 0.0 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.647 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.777 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 0.0 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 0.0 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.72 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 0.0 110.386 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 36' ' ' THR . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.704 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.042 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.955 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.955 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.771 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.627 ' CB ' HG22 ' A' ' 23' ' ' VAL . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.236 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.502 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 14' ' ' LEU . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 0.0 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 0.0 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG23 ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 0.0 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.858 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.775 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.095 0.474 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.963 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 0.0 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 0.0 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' HG23 ' A' ' 23' ' ' VAL . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.965 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.912 -178.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.952 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.952 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 0.0 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.982 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 0.0 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.875 ' O ' HG12 ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 0.0 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 6.5 mm-40 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.691 0.282 . . . . 0.0 111.663 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 111.805 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.276 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.637 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 0.0 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 0.0 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.452 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.613 ' HA ' HD21 ' A' ' 17' ' ' LEU . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.647 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 0.0 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.912 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.912 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.791 ' CB ' HD12 ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 0.0 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 0.0 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 0.0 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 0.0 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.754 ' O ' HG12 ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 4.7 mm-40 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.463 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 50' ' ' LEU . 1.8 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.668 0.27 . . . . 0.0 111.489 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 111.776 -179.03 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.683 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.691 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.037 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.075 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.368 -179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.817 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 0.0 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.922 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 0.0 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.922 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 0.0 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.145 0.498 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.965 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.967 HD12 HG23 ' A' ' 40' ' ' VAL . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 0.0 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 0.0 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.597 HH12 ' HB3' ' A' ' 37' ' ' ALA . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.088 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' HD21 ' A' ' 17' ' ' LEU . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.907 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.605 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB3' HH12 ' A' ' 22' ' ' ARG . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.637 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.967 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.357 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 0.0 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 0.0 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 0.0 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 0.0 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.833 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.833 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 0.0 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.288 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.261 0.553 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.828 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 0.0 111.016 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 0.0 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.094 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 0.0 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.952 -177.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.701 ' CE ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.701 HG23 ' CE ' ' A' ' 28' ' ' LYS . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.852 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 0.0 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 0.0 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 0.0 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 0.0 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.798 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 0.0 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.887 ' O ' HG12 ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 . . . . . 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.837 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.372 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 0.0 111.917 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 0.0 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 173.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.553 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 0.0 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.601 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 0.0 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.819 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.632 ' HA ' HD21 ' A' ' 17' ' ' LEU . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.691 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 7' ' ' LEU . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.675 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.785 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 0.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.88 -178.471 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.785 HG23 ' NZ ' ' A' ' 28' ' ' LYS . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.842 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.618 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 0.0 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 0.0 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 0.0 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.877 ' O ' HG12 ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 0.0 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 0.0 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.285 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.574 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.264 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.782 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.987 HD12 HG23 ' A' ' 40' ' ' VAL . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 0.0 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 0.0 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.912 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HA ' HD21 ' A' ' 17' ' ' LEU . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 0.0 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.324 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 0.0 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.798 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.602 ' HB ' HG22 ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.987 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 0.0 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 0.0 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 0.0 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.828 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 0.0 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 . . . . . 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.964 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.153 0.501 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.916 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.7 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.874 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 0.0 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.61 ' O ' HD21 ' A' ' 17' ' ' LEU . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.471 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 0.0 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.609 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.983 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.983 HG23 ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.683 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 14' ' ' LEU . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.301 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 0.0 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.848 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 0.0 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.4 mm100 . . . . . 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.215 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HA ' HD21 ' A' ' 7' ' ' LEU . 2.9 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 0.0 112.151 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD21 HD11 ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.761 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 0.0 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 0.0 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 17' ' ' LEU . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.176 -179.256 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.758 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 0.0 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.758 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.688 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.558 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 0.0 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 0.0 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.709 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 0.0 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.731 ' O ' HG12 ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 0.0 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.42 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.605 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.917 0.389 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 0.0 111.69 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.406 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.704 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.029 HD12 HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.762 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 0.0 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 0.0 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' HD21 ' A' ' 17' ' ' LEU . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG13 HG22 ' A' ' 36' ' ' THR . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 0.0 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.638 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.762 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.029 HG23 HD12 ' A' ' 14' ' ' LEU . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 0.0 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 0.0 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.857 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.857 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 mm100 . . . . . 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.189 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HG3' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.624 0.249 . . . . 0.0 111.669 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 111.434 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -177.492 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.685 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.662 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.049 HD12 HG23 ' A' ' 40' ' ' VAL . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 0.0 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.662 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 0.0 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.626 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.789 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 0.0 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.726 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.647 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.049 HG23 HD12 ' A' ' 14' ' ' LEU . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 0.0 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 0.0 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.805 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 HD23 ' A' ' 50' ' ' LEU . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 0.0 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.773 ' O ' HG12 ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 0.0 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.66 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 2' ' ' THR . 9.3 t -137.09 79.89 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -28.67 9.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.89 -15.22 63.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD21 HD11 ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.678 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 172.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 0.0 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 0.0 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' O ' HD21 ' A' ' 17' ' ' LEU . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HG22 ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 0.0 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.835 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 0.0 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG21 HD12 ' A' ' 7' ' ' LEU . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.814 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.679 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.614 HG22 HG13 ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.701 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.741 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.826 ' O ' HG12 ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.724 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.591 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 0.0 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 0.0 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -82.87 -21.99 34.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 5' ' ' GLU . 68.9 p -45.87 158.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.59 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.81 37.0 1.91 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.176 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 ttm -49.5 -25.66 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 57' ' ' THR . 58.4 m -114.11 39.29 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 19.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.212 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 56' ' ' MET . 0.2 OUTLIER 68.19 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -115.51 50.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 -62.64 -24.78 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 111.003 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.778 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.19 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.786 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 0.0 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 0.0 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 0.0 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.174 178.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.638 ' HA ' HD21 ' A' ' 17' ' ' LEU . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.686 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.959 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.531 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.959 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.809 ' CB ' HD12 ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 0.0 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.964 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 0.0 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 0.0 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 0.0 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.732 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 -76.78 -89.46 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.369 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.778 HG22 ' HA ' ' A' ' 5' ' ' GLU . 31.4 p 51.53 164.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.206 0.527 . . . . 0.0 111.867 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.98 -93.29 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.677 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 2' ' ' THR . 7.1 tpp 54.49 79.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 1' ' ' MET . 2.1 m -161.99 118.35 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 99.989999999999995 111.047 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.778 0.323 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -143.75 58.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -139.75 56.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -100.36 -17.82 17.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 111.55 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 110.851 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.713 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.0 t-80 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 0.0 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.267 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 0.0 112.053 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.847 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.847 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.611 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 0.0 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 0.0 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 0.0 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.771 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 0.0 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.882 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 0.0 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 3.2 mm100 -71.93 -104.37 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.725 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.848 HG22 ' HA ' ' A' ' 5' ' ' GLU . 70.2 p 54.43 161.09 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 111.965 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.534 ' O ' HG22 ' A' ' 2' ' ' THR . . . 51.45 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.199 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' THR . 10.4 tpp 57.43 89.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.8 m -118.97 -36.84 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.582 . . . . 99.989999999999995 110.944 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.929 0.395 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t -163.67 118.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.589 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 44.07 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -105.83 -21.39 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.401 0.62 . . . . 0.0 110.776 178.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 0.0 111.132 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 172.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 0.0 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.647 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.777 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 0.0 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 0.0 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.72 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 0.0 110.386 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 36' ' ' THR . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.704 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.042 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.955 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.955 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.771 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.627 ' CB ' HG22 ' A' ' 23' ' ' VAL . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.236 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.502 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 14' ' ' LEU . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 0.0 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 0.0 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG23 ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 0.0 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.858 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -85.25 -18.75 33.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.775 178.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 5' ' ' GLU . 72.9 p -37.8 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 33.95 1.63 Allowed Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.937 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.417 ' CE ' ' O ' ' A' ' 53' ' ' GLN . 11.4 tpp -49.78 122.43 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -149.35 102.64 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 99.989999999999995 110.94 -179.746 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.782 0.325 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t 177.78 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.15 72.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.51 -17.39 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.856 178.367 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.827 ' HA ' HG22 ' A' ' 54' ' ' THR . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.963 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 0.0 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 0.0 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' HG23 ' A' ' 23' ' ' VAL . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.965 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.912 -178.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.952 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.952 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 0.0 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.982 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 0.0 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.875 ' O ' HG12 ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 0.0 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 6.5 mm-40 -73.2 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 5' ' ' GLU . 76.2 p 54.92 155.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.274 0.559 . . . . 0.0 112.229 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.3 30.07 0.75 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.193 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 130.79 43.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.021 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 61.13 124.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . 22.5 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 2' ' ' THR . 39.8 m 65.2 33.69 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -107.72 -23.91 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -70.75 -14.92 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.663 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.678 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 111.805 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.276 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.637 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 0.0 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 0.0 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.452 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.613 ' HA ' HD21 ' A' ' 17' ' ' LEU . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.647 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 0.0 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.912 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.912 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.791 ' CB ' HD12 ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 0.0 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 0.0 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 0.0 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 0.0 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.754 ' O ' HG12 ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' HE3' ' A' ' 56' ' ' MET . 4.7 mm-40 -82.39 -17.33 45.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.463 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 5' ' ' GLU . 81.5 p -43.5 155.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.42 36.62 11.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.628 ' HE3' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -49.73 -37.54 29.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 0.0 111.061 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -108.29 120.83 43.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 99.989999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 p -99.55 51.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -85.86 -70.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 50' ' ' LEU . 1.8 mp0 -64.49 -15.04 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.489 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.702 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 111.776 -179.03 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.683 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.691 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.037 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.075 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.368 -179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.817 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 0.0 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.922 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 0.0 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.922 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 0.0 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 -85.0 -18.19 35.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.702 HG22 ' HA ' ' A' ' 5' ' ' GLU . 81.2 p -41.38 155.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.33 39.4 13.91 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.706 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.9 tpp -56.44 133.87 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -137.36 102.67 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.783 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 110.857 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.795 HG23 ' HA2' ' A' ' 55' ' ' GLY . 34.2 m 50.49 76.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -133.4 14.15 4.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.665 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 -110.03 -22.07 11.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.145 0.498 . . . . 0.0 111.022 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.871 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.965 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.967 HD12 HG23 ' A' ' 40' ' ' VAL . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 0.0 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 0.0 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.597 HH12 ' HB3' ' A' ' 37' ' ' ALA . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.088 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' HD21 ' A' ' 17' ' ' LEU . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.907 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.605 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB3' HH12 ' A' ' 22' ' ' ARG . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.637 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.967 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.357 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 0.0 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 0.0 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 0.0 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 0.0 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.833 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.833 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 0.0 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 -74.47 -97.46 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.288 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.871 HG22 ' HA ' ' A' ' 5' ' ' GLU . 67.1 p 54.15 155.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.273 0.559 . . . . 0.0 112.286 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.795 ' HA2' HG23 ' A' ' 2' ' ' THR . . . 41.85 28.79 0.47 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.93 -0.577 . . . . 0.0 113.212 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 tpp -67.94 114.87 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -99.08 109.51 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.424 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 99.989999999999995 110.989 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.8 p -97.45 173.25 7.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -140.59 -52.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -83.84 -19.41 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.261 0.553 . . . . 0.0 110.366 178.321 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.741 ' HA ' HG22 ' A' ' 54' ' ' THR . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.828 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 0.0 111.016 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 0.0 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.094 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 0.0 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.952 -177.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.701 ' CE ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.701 HG23 ' CE ' ' A' ' 28' ' ' LYS . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.852 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 0.0 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 0.0 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 0.0 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 0.0 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.798 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 0.0 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.887 ' O ' HG12 ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 -71.67 -106.83 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.837 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 5' ' ' GLU . 43.9 p 55.48 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.464 . . . . 0.0 112.192 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.22 39.44 3.08 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.113 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.479 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.36 105.15 5.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 119.62 -0.229 . . . . 0.0 110.566 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.479 ' CB ' ' HA ' ' A' ' 56' ' ' MET . 0.2 OUTLIER 66.85 -162.48 0.23 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.333 1.053 . . . . 0.0 111.759 0.003 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.422 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 99.989999999999995 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.829 0.347 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -107.78 -51.02 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.17 -15.24 63.59 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.372 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.711 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 0.0 111.917 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 0.0 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 173.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.553 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 0.0 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.601 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 0.0 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.819 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.632 ' HA ' HD21 ' A' ' 17' ' ' LEU . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.691 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 7' ' ' LEU . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.675 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.785 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 0.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.88 -178.471 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.785 HG23 ' NZ ' ' A' ' 28' ' ' LYS . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.842 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.618 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 0.0 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 0.0 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 0.0 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.877 ' O ' HG12 ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 0.0 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 0.0 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 -75.37 -26.2 58.32 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.285 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 5' ' ' GLU . 63.3 p -38.29 160.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.346 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' MET . . . 81.1 -63.68 4.27 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.392 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 4' ' ' GLN . 0.6 OUTLIER 31.92 45.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.51 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -84.25 121.9 28.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 20.4 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.922 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -51.02 135.66 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.741 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.34 15.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.749 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.574 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -105.83 -15.29 14.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.856 0.36 . . . . 0.0 111.264 178.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.629 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.782 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.987 HD12 HG23 ' A' ' 40' ' ' VAL . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 0.0 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 0.0 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.912 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HA ' HD21 ' A' ' 17' ' ' LEU . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 0.0 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 3' ' ' ARG . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.324 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 0.0 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.798 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.602 ' HB ' HG22 ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.987 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 0.0 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 0.0 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 0.0 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.828 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 0.0 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 -73.26 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.964 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 5' ' ' GLU . 66.6 p 52.69 163.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.904 0.383 . . . . 0.0 111.694 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.41 28.47 0.58 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.0 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tpp -74.26 96.62 2.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 111.148 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.1 m -98.61 -31.59 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 111.037 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.801 0.334 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -160.53 -164.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.94 68.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.01 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -100.1 -21.47 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 110.926 179.116 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.844 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.916 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.7 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 173.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.874 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' GLY . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 0.0 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.61 ' O ' HD21 ' A' ' 17' ' ' LEU . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.471 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 0.0 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.609 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.983 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.983 HG23 ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.683 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 14' ' ' LEU . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.301 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 0.0 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.848 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 0.0 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.4 mm100 -74.2 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.215 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.844 HG22 ' HA ' ' A' ' 5' ' ' GLU . 70.2 p 53.99 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 112.382 177.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.16 28.5 0.52 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.854 -0.612 . . . . 0.0 113.195 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.77 63.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.91 109.97 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.946 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 2' ' ' THR . 16.1 ttm . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.684 0.278 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 1' ' ' MET . 6.7 t 48.69 179.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.03 35.15 2.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HA ' HD21 ' A' ' 7' ' ' LEU . 2.9 mp0 -65.27 -15.8 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.049 0.452 . . . . 0.0 111.43 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.707 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 0.0 112.151 -178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD21 HD11 ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.761 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 0.0 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 0.0 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 17' ' ' LEU . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.176 -179.256 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.758 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 0.0 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.758 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.688 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.558 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 0.0 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 0.0 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 0.0 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.731 ' O ' HG12 ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 0.0 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 -78.67 -79.38 0.13 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.42 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.9 p 49.42 169.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.03 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.06 -93.94 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 54' ' ' THR . 2.7 ttm 46.07 87.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.217 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m 69.79 103.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.873 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.908 0.385 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 55' ' ' GLY . 18.9 p -68.89 -160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.78 -48.59 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.605 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -64.31 -15.88 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.522 -178.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.665 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 0.0 111.69 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.406 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.704 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.029 HD12 HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.762 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 0.0 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 0.0 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' HD21 ' A' ' 17' ' ' LEU . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG13 HG22 ' A' ' 36' ' ' THR . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 0.0 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.638 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.762 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.029 HG23 HD12 ' A' ' 14' ' ' LEU . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 0.0 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 0.0 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.857 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.857 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' O ' ' HE2' ' A' ' 56' ' ' MET . 1.6 mm100 -76.84 -20.03 56.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.189 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 5' ' ' GLU . 82.3 p -43.05 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.613 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.518 ' CA ' HG21 ' A' ' 2' ' ' THR . . . 62.1 16.32 52.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.768 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 53' ' ' GLN . 20.4 tpp -53.78 102.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.3 m -70.7 125.46 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.927 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 96.15 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.88 -34.02 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HG3' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.6 -15.25 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.669 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 111.434 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -177.492 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.685 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.662 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.049 HD12 HG23 ' A' ' 40' ' ' VAL . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 0.0 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.662 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 0.0 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.626 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.789 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 0.0 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.726 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.647 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.049 HG23 HD12 ' A' ' 14' ' ' LEU . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 0.0 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 0.0 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.805 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 HD23 ' A' ' 50' ' ' LEU . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 0.0 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.773 ' O ' HG12 ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 0.0 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -83.27 -16.63 45.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.66 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 5' ' ' GLU . 71.9 p -39.89 154.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.41 35.68 5.44 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.902 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 53' ' ' GLN . 5.7 ttm -50.28 129.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.935 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 58.59 22.57 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.427 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.971 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 111.31 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.724 HD21 HD11 ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.678 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 172.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 0.0 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 0.0 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.576 ' O ' HD21 ' A' ' 17' ' ' LEU . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HG22 ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 0.0 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.835 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 0.0 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.693 HG21 HD12 ' A' ' 7' ' ' LEU . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.814 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.679 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.614 HG22 HG13 ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.701 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.741 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.826 ' O ' HG12 ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.724 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.591 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 0.0 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 0.0 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 121.127 0.489 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.19 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.786 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 0.0 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 0.0 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 0.0 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.174 178.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.638 ' HA ' HD21 ' A' ' 17' ' ' LEU . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.686 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.959 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.531 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.959 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.809 ' CB ' HD12 ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 0.0 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.964 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 0.0 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 0.0 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 0.0 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.732 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.369 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.925 0.393 . . . . 0.0 111.55 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 110.851 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.713 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 15.7 t60 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.801 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 0.0 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.267 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 0.0 112.053 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.847 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.847 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.611 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 0.0 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 0.0 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 0.0 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.771 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 0.0 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.882 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 0.0 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 2.6 mm-40 . . . . . 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.725 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 121.401 0.62 . . . . 0.0 110.776 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.422 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 0.0 111.132 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 172.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 0.0 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.647 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.777 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 0.0 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 0.0 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.72 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 0.0 110.386 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 36' ' ' THR . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.704 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.042 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.955 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.955 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.771 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.627 ' CB ' HG22 ' A' ' 23' ' ' VAL . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.236 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.502 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 14' ' ' LEU . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 0.0 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 0.0 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG23 ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 0.0 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.858 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.775 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.095 0.474 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.963 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 0.0 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 0.0 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' HG23 ' A' ' 23' ' ' VAL . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.965 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.912 -178.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.952 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.952 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 0.0 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.982 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 0.0 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.875 ' O ' HG12 ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 0.0 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 6.5 mm-40 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.691 0.282 . . . . 0.0 111.663 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 111.805 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.276 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.637 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 0.0 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 0.0 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.452 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.613 ' HA ' HD21 ' A' ' 17' ' ' LEU . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.647 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 0.0 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.912 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.912 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.791 ' CB ' HD12 ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 0.0 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 0.0 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 0.0 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 0.0 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.754 ' O ' HG12 ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 4.7 mm-40 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.463 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 50' ' ' LEU . 1.8 mp0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.668 0.27 . . . . 0.0 111.489 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 111.776 -179.03 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.683 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.691 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.037 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.075 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.368 -179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.817 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 0.0 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.922 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 0.0 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.922 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 0.0 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.145 0.498 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.965 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.543 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.967 HD12 HG23 ' A' ' 40' ' ' VAL . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 0.0 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 0.0 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.597 HH12 ' HB3' ' A' ' 37' ' ' ALA . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.088 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' HD21 ' A' ' 17' ' ' LEU . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.907 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.605 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB3' HH12 ' A' ' 22' ' ' ARG . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.637 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.967 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.357 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 0.0 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 0.0 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 0.0 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 0.0 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.833 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.833 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 0.0 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.288 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 121.261 0.553 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.828 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 0.0 111.016 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 0.0 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.094 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 0.0 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.952 -177.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.701 ' CE ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.701 HG23 ' CE ' ' A' ' 28' ' ' LYS . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.852 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 0.0 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 0.0 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 0.0 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 0.0 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.852 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.798 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 0.0 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.887 ' O ' HG12 ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 . . . . . 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.837 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 111.372 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 0.0 111.917 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 0.0 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 173.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.553 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 0.0 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.601 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 0.0 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.819 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.632 ' HA ' HD21 ' A' ' 17' ' ' LEU . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.691 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 7' ' ' LEU . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.675 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.785 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 0.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.88 -178.471 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.785 HG23 ' NZ ' ' A' ' 28' ' ' LYS . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.842 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.618 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 0.0 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 0.0 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 0.0 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.877 ' O ' HG12 ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 0.0 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 0.0 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.285 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.574 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 111.264 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.782 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.987 HD12 HG23 ' A' ' 40' ' ' VAL . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 0.0 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 0.0 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.912 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HA ' HD21 ' A' ' 17' ' ' LEU . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 0.0 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.324 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 0.0 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.798 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.602 ' HB ' HG22 ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.987 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 0.0 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 0.0 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 0.0 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.828 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.698 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 0.0 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 . . . . . 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.964 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.153 0.501 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.916 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.7 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.874 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.514 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 0.0 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.61 ' O ' HD21 ' A' ' 17' ' ' LEU . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.471 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 0.0 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.609 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.983 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.983 HG23 ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.683 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 14' ' ' LEU . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.301 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 0.0 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.848 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 0.0 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 . . . . . 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.215 177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HA ' HD21 ' A' ' 7' ' ' LEU . 2.9 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 121.049 0.452 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 0.0 112.151 -178.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD21 HD11 ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.761 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.7 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 0.0 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 0.0 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 17' ' ' LEU . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.176 -179.256 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.758 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 0.0 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.758 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.688 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.558 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 0.0 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 0.0 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.709 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 0.0 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.731 ' O ' HG12 ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 0.0 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 . . . . . 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.42 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.605 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 120.917 0.389 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 0.0 111.69 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.406 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.704 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.029 HD12 HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.762 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 0.0 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 0.0 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' HD21 ' A' ' 17' ' ' LEU . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.638 HG13 HG22 ' A' ' 36' ' ' THR . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 0.0 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.638 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.762 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.029 HG23 HD12 ' A' ' 14' ' ' LEU . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 0.0 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 0.0 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.857 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.857 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.6 mm100 . . . . . 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.189 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HG3' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.624 0.249 . . . . 0.0 111.669 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 111.434 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -177.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.685 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.662 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.049 HD12 HG23 ' A' ' 40' ' ' VAL . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 0.0 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.662 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 0.0 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.626 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.789 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 0.0 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.726 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.647 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.049 HG23 HD12 ' A' ' 14' ' ' LEU . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 0.0 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 0.0 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.726 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.805 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 HD23 ' A' ' 50' ' ' LEU . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 0.0 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.773 ' O ' HG12 ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 0.0 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.66 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 2' ' ' THR . 9.3 t -137.09 79.89 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.86 -28.67 9.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -68.89 -15.22 63.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.31 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.662 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -70.18 -37.72 75.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.909 0.385 . . . . 0.0 111.509 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 8.8 mm-40 -53.99 -54.72 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.081 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD21 HD11 ' A' ' 50' ' ' LEU . 2.4 pt? -74.88 -28.78 60.79 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.387 178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -56.5 -29.33 61.68 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 172.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.678 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.3 -39.9 78.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 172.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.83 -37.19 70.89 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.13 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.591 ' HG2' ' CG ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.19 -43.86 64.39 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 174.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.0 -45.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.95 -41.54 86.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.461 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -58.16 -53.78 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.725 -179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 6.7 t-80 -55.24 -31.98 61.93 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 2.3 t0 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.706 175.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.8 tt -50.97 -36.84 41.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.27 0.557 . . . . 0.0 110.135 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -21.82 6.36 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.019 177.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.28 -66.39 0.22 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.612 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.71 -71.36 0.98 Allowed Glycine 0 CA--C 1.518 0.238 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.826 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.57 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.22 -163.72 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.534 0.683 . . . . 0.0 110.896 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.576 ' O ' HD21 ' A' ' 17' ' ' LEU . 13.1 tpt180 -162.53 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.813 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG13 HG22 ' A' ' 36' ' ' THR . 38.9 t -155.27 123.75 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-O 121.212 0.529 . . . . 0.0 111.412 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -112.9 137.32 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.835 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.19 114.98 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.116 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.68 166.61 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 0.0 112.097 -178.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -121.61 126.07 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.532 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.692 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -120.12 -175.49 3.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -178.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -101.49 52.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.813 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 168.79 -48.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.525 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 6.2 tpt180 -128.81 170.46 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.076 0.465 . . . . 0.0 110.988 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.97 136.33 54.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.76 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.693 HG21 HD12 ' A' ' 7' ' ' LEU . 2.3 t -116.75 100.68 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.952 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 3.3 mt-10 -126.71 109.09 11.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.814 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.679 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.5 m-85 -141.33 161.45 37.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -174.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.614 HG22 HG13 ' A' ' 23' ' ' VAL . 5.2 p -125.36 -154.89 0.65 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.076 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.701 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.54 39.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.575 -177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.2 p -126.34 -43.03 1.79 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.438 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.8 -7.79 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.663 179.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.741 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.2 p -47.08 -26.47 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 121.338 -0.145 . . . . 0.0 111.377 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 p -67.52 -53.71 26.27 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.0 -34.99 77.21 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.213 176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.19 -46.11 71.55 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.704 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.25 -32.1 23.23 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.169 -178.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.2 tptt -66.64 -51.6 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.4 -50.87 72.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.843 178.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 3.8 tp -64.86 -32.66 59.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 110.139 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -61.5 -41.17 96.89 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.826 ' O ' HG12 ' A' ' 52' ' ' VAL . 25.4 tt0 -60.45 -47.06 87.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.724 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.68 -54.78 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.337 -1.301 . . . . 0.0 110.827 175.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.591 ' CG ' ' HG2' ' A' ' 11' ' ' ARG . 13.7 mm-40 -44.44 -62.71 1.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.225 1.012 . . . . 0.0 110.989 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.2 p -52.6 -21.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-N 113.765 -1.561 . . . . 0.0 111.721 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -82.87 -21.99 34.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 5' ' ' GLU . 68.9 p -45.87 158.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.59 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.81 37.0 1.91 Allowed Glycine 0 C--N 1.332 0.355 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.176 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.3 ttm -49.5 -25.66 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 57' ' ' THR . 58.4 m -114.11 39.29 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 19.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HB3' HG23 ' A' ' 57' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.779 0.323 . . . . 0.0 111.212 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.56 HG21 ' HB3' ' A' ' 56' ' ' MET . 0.2 OUTLIER 68.19 99.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -115.51 50.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.505 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 -62.64 -24.78 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.127 0.489 . . . . 0.0 111.003 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.778 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.4 OUTLIER -59.99 -40.44 89.18 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.6 mm-40 -55.28 -55.33 32.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.071 0.462 . . . . 0.0 111.19 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.34 -29.14 61.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.121 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.531 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -56.43 -30.32 62.68 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.69 -38.63 77.08 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 173.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.36 -38.53 77.43 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.248 173.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.563 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.1 -41.05 64.59 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 175.317 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.68 -47.56 67.12 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.649 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.4 -49.2 74.7 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.614 176.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.55 -49.7 55.37 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.451 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 19.6 t-80 -54.82 -35.0 63.45 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 176.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.41 -35.2 65.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.763 175.215 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.786 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.53 -34.45 17.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.492 0.663 . . . . 0.0 109.486 -178.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -36.65 68.18 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.995 177.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -145.41 66.75 1.23 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.005 0.431 . . . . 0.0 111.292 -179.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 153.49 -80.67 0.18 Allowed Glycine 0 C--N 1.328 0.102 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.68 -164.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.576 0.703 . . . . 0.0 110.27 176.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -155.1 -42.4 0.08 Allowed 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.174 178.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.638 ' HA ' HD21 ' A' ' 17' ' ' LEU . 77.7 t -152.54 126.38 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.362 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.91 136.55 54.0 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.782 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -146.86 120.9 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.567 178.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.28 163.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.0 111.686 -178.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -116.67 118.89 33.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.588 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.959 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.06 177.04 4.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 -179.088 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -96.16 39.74 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.16 -54.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -127.16 171.15 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.919 179.533 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 20.6 ptp180 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.531 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.959 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.59 101.73 12.58 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 C-N-CA 120.563 -0.455 . . . . 0.0 112.102 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.1 mp0 -128.5 116.34 19.54 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.809 ' CB ' HD12 ' A' ' 43' ' ' LEU . 15.0 m-85 -143.18 162.69 34.94 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -174.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.3 p -123.55 -162.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.271 176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 43.56 1.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.744 0.307 . . . . 0.0 111.706 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.0 p -131.21 -54.74 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.178 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -96.29 -10.97 26.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.071 178.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.964 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.98 -26.61 0.61 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.211 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.2 p -65.2 -53.56 42.83 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.364 0.602 . . . . 0.0 109.648 178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.3 -40.91 92.16 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.77 0.795 . . . . 0.0 109.157 176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.809 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.42 -44.84 93.44 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.448 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.46 -34.57 36.04 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.371 -178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.79 -53.89 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -59.36 -51.3 70.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.025 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -62.76 -31.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.019 0.438 . . . . 0.0 109.952 179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.64 -39.26 93.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.662 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.732 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.6 tt0 -60.76 -30.55 70.08 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -69.74 -60.24 2.44 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.93 178.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -50.0 -34.12 20.11 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.853 -178.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -72.2 -29.08 30.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 9.8 mm-40 -76.78 -89.46 0.04 OUTLIER 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.369 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.778 HG22 ' HA ' ' A' ' 5' ' ' GLU . 31.4 p 51.53 164.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.206 0.527 . . . . 0.0 111.867 178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.98 -93.29 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.677 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 2' ' ' THR . 7.1 tpp 54.49 79.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 1' ' ' MET . 2.1 m -161.99 118.35 2.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 99.989999999999995 111.047 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.778 0.323 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -143.75 58.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -139.75 56.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -100.36 -17.82 17.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.925 0.393 . . . . 0.0 111.55 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.3 tm-20 -70.01 -33.0 71.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 mt-10 -59.67 -54.66 43.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 0.0 110.851 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.94 -28.18 62.28 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -54.54 -30.53 54.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.3 -40.09 74.44 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.42 -39.48 73.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.414 173.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.25 -41.84 65.86 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.35 -47.55 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.713 178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.62 -48.98 75.11 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.595 176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.68 -49.86 56.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.53 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 15.7 t60 -55.17 -34.62 64.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.5 t0 -73.44 -34.34 65.38 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.66 175.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.801 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.32 -36.2 30.92 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.389 0.614 . . . . 0.0 109.811 -179.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -21.23 19.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.139 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.13 -67.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.203 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.67 -76.39 0.23 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.089 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.89 -166.07 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.655 0.74 . . . . 0.0 110.882 178.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.2 tpt85 -155.19 -41.62 0.08 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.267 178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.1 t -151.03 127.83 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-O 121.123 0.487 . . . . 0.0 111.742 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.57 141.77 47.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.585 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.45 114.68 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.71 162.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.1 0.476 . . . . 0.0 112.053 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.83 119.14 33.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.623 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.847 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.59 -174.49 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.169 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -106.36 25.36 11.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.862 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -153.76 -48.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.46 171.01 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 110.745 179.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -117.14 129.68 56.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.024 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.847 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.1 t -117.49 101.61 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 C-N-CA 120.358 -0.537 . . . . 0.0 112.198 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -128.92 108.86 10.76 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.6 m-85 -141.69 162.33 35.74 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.611 ' C ' HD23 ' A' ' 17' ' ' LEU . 3.9 p -123.98 -162.22 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.212 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.06 43.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.864 0.364 . . . . 0.0 111.701 -178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.7 p -131.18 -55.83 1.03 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.297 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.67 -9.64 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.259 178.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.968 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.23 -26.34 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.384 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 m -65.12 -53.58 43.01 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.232 0.539 . . . . 0.0 109.595 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -40.05 91.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.75 0.786 . . . . 0.0 109.204 176.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.17 -44.26 92.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.55 178.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.771 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.91 -35.25 44.84 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.305 -179.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.17 -54.18 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 31' ' ' ARG . 0.3 OUTLIER -58.68 -50.85 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.125 179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -64.6 -31.97 55.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.254 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.75 -39.02 93.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.216 0.531 . . . . 0.0 109.782 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.882 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.2 tp10 -61.67 -33.22 73.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.67 -60.56 2.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.929 178.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' HB3' ' HG2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -51.08 -35.99 37.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.819 -178.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.3 p -66.6 -29.05 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.53 0 CA-C-O 121.35 0.595 . . . . 0.0 110.243 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 2.6 mm-40 -71.93 -104.37 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.725 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.848 HG22 ' HA ' ' A' ' 5' ' ' GLU . 70.2 p 54.43 161.09 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.021 0.438 . . . . 0.0 111.965 177.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.534 ' O ' HG22 ' A' ' 2' ' ' THR . . . 51.45 -90.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.199 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' THR . 10.4 tpp 57.43 89.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 0.0 111.036 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.8 m -118.97 -36.84 3.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 115.921 -0.582 . . . . 99.989999999999995 110.944 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.929 0.395 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 t -163.67 118.77 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.589 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.43 44.07 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.468 -178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -105.83 -21.39 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.401 0.62 . . . . 0.0 110.776 178.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.7 tm-20 -69.77 -32.42 70.9 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.7 mm-40 -61.27 -55.36 32.76 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.05 0.453 . . . . 0.0 111.132 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -57.01 -30.34 64.09 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.631 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -64.56 -40.45 95.6 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 172.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.69 -38.33 72.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.811 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.806 ' HG2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.18 -46.59 62.16 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.608 0.718 . . . . 0.0 109.42 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -41.06 63.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.647 177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -72.75 -49.83 28.4 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.275 176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.047 HD12 HG23 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -54.77 -49.22 71.44 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.58 -33.25 59.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.477 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -72.98 -33.66 65.96 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.972 175.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.777 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -50.29 -36.94 33.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.871 0.843 . . . . 0.0 108.919 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -31.29 72.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.063 -1.426 . . . . 0.0 111.235 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -152.22 61.91 0.83 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 111.679 -178.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.54 -73.96 0.24 Allowed Glycine 0 CA--C 1.517 0.175 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.901 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -54.01 -158.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.462 0.649 . . . . 0.0 110.423 177.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.72 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.5 tmt_? -166.19 -45.06 0.03 OUTLIER 'General case' 0 CA--C 1.499 -1.008 0 CA-C-O 121.694 0.759 . . . . 0.0 110.386 -177.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 36' ' ' THR . 36.0 t -153.95 123.86 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.704 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -115.73 143.58 45.18 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.042 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.83 115.42 5.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.183 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.33 166.59 27.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.172 0.511 . . . . 0.0 111.72 -178.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -123.78 119.88 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.955 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.82 -177.45 3.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.281 -179.006 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -96.81 47.56 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.37 -52.23 0.21 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 8.7 tpp85 -116.27 170.8 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.82 131.69 52.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.707 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.955 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.2 t -116.9 101.69 12.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.535 177.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 50.8 mt-10 -128.09 108.8 10.95 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.771 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.4 m-85 -141.63 161.91 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -173.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.627 ' CB ' HG22 ' A' ' 23' ' ' VAL . 4.4 p -125.64 -156.9 0.76 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.737 -1.12 . . . . 0.0 110.236 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.777 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -94.31 29.88 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.939 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 p -118.96 -42.36 2.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 110.553 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.502 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -110.75 -7.02 14.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.495 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.047 HG23 HD12 ' A' ' 14' ' ' LEU . 1.8 p -50.97 -25.61 3.62 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.03 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.3 t -63.7 -53.63 48.26 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.29 0.567 . . . . 0.0 109.64 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.52 94.27 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.787 0.804 . . . . 0.0 109.31 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.62 -40.96 98.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.351 178.407 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.709 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.66 -38.03 53.12 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.254 -179.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 20.0 tptt -63.56 -49.52 73.11 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.7 OUTLIER -60.9 -51.01 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.583 179.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG23 ' HG2' ' A' ' 11' ' ' ARG . 2.1 tp -69.4 -31.0 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.809 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.59 -40.48 95.61 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.514 0.673 . . . . 0.0 109.47 176.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.858 ' O ' HG12 ' A' ' 52' ' ' VAL . 38.5 tp10 -61.47 -34.17 75.0 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.644 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.735 178.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.42 -27.21 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 110.784 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.5 p -83.74 -20.8 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.725 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -85.25 -18.75 33.02 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.775 178.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 5' ' ' GLU . 72.9 p -37.8 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.58 33.95 1.63 Allowed Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.937 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.417 ' CE ' ' O ' ' A' ' 53' ' ' GLN . 11.4 tpp -49.78 122.43 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 111.2 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -149.35 102.64 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 99.989999999999995 110.94 -179.746 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.782 0.325 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t 177.78 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.15 72.89 0.79 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.106 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -98.51 -17.39 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.095 0.474 . . . . 0.0 110.856 178.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.827 ' HA ' HG22 ' A' ' 54' ' ' THR . 8.2 tm-20 -69.76 -32.87 71.62 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.2 mt-10 -59.07 -55.02 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.963 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.668 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -73.21 -28.04 61.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.895 178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.68 -30.47 55.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.738 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.25 -39.76 74.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 172.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.14 -39.38 75.08 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.399 173.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -53.12 -41.39 64.98 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.76 -47.79 67.21 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.714 178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.61 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.55 -49.02 75.09 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.5 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.88 -48.25 60.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.265 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 75.9 t60 -55.22 -35.51 64.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.2 t0 -73.67 -34.6 64.99 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.874 175.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.804 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.28 -35.67 28.21 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.5 0.667 . . . . 0.0 109.836 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -21.4 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.203 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.2 -68.34 0.16 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.136 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.57 -76.08 0.26 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.328 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.21 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.758 0.789 . . . . 0.0 110.925 179.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG2' HG23 ' A' ' 23' ' ' VAL . 23.3 ttp180 -154.07 -43.13 0.09 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.612 -1.176 . . . . 0.0 109.965 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.1 t -149.0 128.4 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.318 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.17 138.83 51.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.494 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -146.88 114.99 6.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.164 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.487 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.47 163.51 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.912 -178.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -119.8 118.73 31.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.641 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.952 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -110.2 -176.0 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.973 -179.379 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -102.99 44.45 1.01 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 179.75 -50.53 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.216 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 5.2 tpp180 -125.3 170.64 11.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.707 179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -121.68 131.4 54.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.956 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.952 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.62 101.53 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 C-N-CA 120.536 -0.466 . . . . 0.0 111.596 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.83 108.52 10.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.6 m-85 -141.9 162.27 35.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.0 -162.74 1.08 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.255 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.84 43.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.667 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.3 p -131.67 -53.0 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.014 0.435 . . . . 0.0 110.301 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.492 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -98.57 -9.56 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.075 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.982 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.18 -26.41 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.384 -178.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -53.78 38.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 109.549 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -39.63 87.27 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.871 0.843 . . . . 0.0 109.251 176.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.36 -44.77 90.39 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.544 178.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.806 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.88 -33.69 37.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.417 -178.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 5.5 tptm -64.34 -53.54 47.09 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -57.26 -50.45 72.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.076 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.2 tp -67.21 -32.11 56.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.0 -40.15 96.9 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.192 0.52 . . . . 0.0 109.711 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.875 ' O ' HG12 ' A' ' 52' ' ' VAL . 35.4 tt0 -61.55 -33.74 74.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.48 -60.65 2.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.776 178.318 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.76 -37.34 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.046 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.2 p -66.95 -28.69 43.8 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-O 121.403 0.621 . . . . 0.0 110.358 178.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 6.5 mm-40 -73.2 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.0 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.827 HG22 ' HA ' ' A' ' 5' ' ' GLU . 76.2 p 54.92 155.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.274 0.559 . . . . 0.0 112.229 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.3 30.07 0.75 Allowed Glycine 0 C--N 1.334 0.42 0 CA-C-N 115.859 -0.61 . . . . 0.0 113.193 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 130.79 43.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.021 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 61.13 124.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.986 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.859 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' HB ' ' A' ' 2' ' ' THR . 22.5 ttp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.805 0.336 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 2' ' ' THR . 39.8 m 65.2 33.69 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -107.72 -23.91 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -70.75 -14.92 62.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.663 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.678 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -69.24 -42.93 75.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 111.805 -179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 3.1 mm-40 -53.02 -54.67 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.276 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 pt? -73.57 -28.85 62.07 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -56.27 -30.36 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.05 -37.75 75.61 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 173.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -58.89 -39.48 81.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.004 173.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.24 -40.97 64.97 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 175.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.9 -47.04 68.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.637 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.67 -50.09 68.38 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.552 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.66 -49.4 57.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.496 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -54.55 -35.18 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.91 -34.88 64.55 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.902 174.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -49.62 -34.53 18.33 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.558 0.694 . . . . 0.0 109.406 -178.473 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -35.98 67.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.906 178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -145.89 67.38 1.2 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 111.148 -179.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 152.56 -80.74 0.19 Allowed Glycine 0 C--N 1.328 0.107 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.11 -163.88 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 121.49 0.662 . . . . 0.0 110.331 176.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HG3' HG23 ' A' ' 23' ' ' VAL . 18.8 tpt180 -155.82 -40.88 0.08 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.452 178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.613 ' HA ' HD21 ' A' ' 17' ' ' LEU . 78.3 t -152.21 129.93 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-O 121.108 0.48 . . . . 0.0 111.495 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -119.12 137.43 53.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.647 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -145.61 114.49 6.91 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.001 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -131.2 165.28 31.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.194 0.521 . . . . 0.0 112.047 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -120.55 118.81 31.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.695 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.912 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.52 -174.57 2.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.706 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.84 29.07 5.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.969 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.01 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.773 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt180 -126.09 171.11 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.59 130.34 54.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.864 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.912 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.5 t -117.07 101.38 11.99 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.738 177.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.73 108.1 10.2 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.791 ' CB ' HD12 ' A' ' 43' ' ' LEU . 21.6 m-85 -142.14 162.07 36.41 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -174.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.614 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.9 p -124.87 -163.02 1.14 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.52 43.77 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.781 0.324 . . . . 0.0 111.723 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.4 p -131.76 -55.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.013 0.435 . . . . 0.0 110.235 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -95.27 -9.87 31.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.201 178.059 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.33 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.639 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -53.92 33.91 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.278 0.561 . . . . 0.0 109.488 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -40.47 89.82 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.825 0.821 . . . . 0.0 109.038 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.51 -44.46 94.24 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.587 178.655 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -33.91 36.08 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.47 -178.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -63.49 -54.26 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 175.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.515 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.79 -50.41 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.129 179.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -64.15 -30.26 49.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.344 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -65.72 -41.45 92.26 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.398 0.618 . . . . 0.0 109.719 178.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.754 ' O ' HG12 ' A' ' 52' ' ' VAL . 39.9 tt0 -60.48 -33.87 73.21 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -63.88 -61.15 2.47 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.487 178.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -51.4 -29.21 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.089 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.6 p -81.83 -22.89 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.922 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.628 ' O ' ' HE3' ' A' ' 56' ' ' MET . 4.7 mm-40 -82.39 -17.33 45.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.463 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.678 HG22 ' HA ' ' A' ' 5' ' ' GLU . 81.5 p -43.5 155.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.42 36.62 11.49 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.652 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.628 ' HE3' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -49.73 -37.54 29.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.857 0.36 . . . . 0.0 111.061 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.4 m -108.29 120.83 43.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 99.989999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtm . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.843 0.354 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 p -99.55 51.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -85.86 -70.89 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 50' ' ' LEU . 1.8 mp0 -64.49 -15.04 60.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.489 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.702 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -69.84 -40.54 75.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.37 . . . . 0.0 111.776 -179.03 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mt-10 -53.64 -54.58 35.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 -177.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.683 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 pt? -73.59 -28.89 62.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.955 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.9 -30.34 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 173.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.56 -37.92 74.05 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 173.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.02 -38.4 79.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.893 173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.55 -39.6 67.88 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.0 -48.82 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.691 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.46 -49.49 73.46 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.612 176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.99 HD12 HG23 ' A' ' 40' ' ' VAL . 1.3 mm? -50.87 -48.3 60.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.626 -179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 18.0 t-80 -55.44 -35.3 65.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.9 t0 -73.35 -34.18 65.5 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.698 175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.63 -34.91 27.99 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.272 0.558 . . . . 0.0 109.646 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.48 62.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.165 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -148.97 -66.88 0.22 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.037 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -63.53 -75.51 0.34 Allowed Glycine 0 C--N 1.33 0.208 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.373 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -52.52 -166.46 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.3 tpt180 -155.27 -41.98 0.08 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.075 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.633 ' HA ' HD21 ' A' ' 17' ' ' LEU . 52.4 t -151.31 127.26 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.643 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.73 136.16 53.19 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.023 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.79 113.01 7.17 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.248 179.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.56 168.49 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.368 -179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -126.81 123.09 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.579 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.2 171.73 7.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -177.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.98 -15.26 42.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.35 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -141.42 -37.97 0.09 OUTLIER Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.302 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.2 tpp180 -114.17 170.25 8.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.957 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -124.74 128.58 48.99 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.354 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -112.72 101.88 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.553 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -125.64 108.49 11.61 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.817 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.48 162.3 35.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -175.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -125.77 -161.66 1.06 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.357 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.46 41.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.705 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.6 p -130.29 -51.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.295 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -99.32 -9.79 23.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.23 178.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.99 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -47.5 -25.98 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.167 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -53.89 31.75 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -39.49 87.14 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.89 0.852 . . . . 0.0 109.071 176.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.817 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.89 -44.78 91.97 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.495 178.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.829 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.85 -33.28 35.59 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.452 -178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 6.3 tptt -64.61 -53.43 47.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.55 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -59.02 -49.68 76.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.084 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.922 HD12 HD23 ' A' ' 50' ' ' LEU . 1.7 tp -66.3 -30.36 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.641 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -67.01 -40.1 87.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.436 0.636 . . . . 0.0 109.643 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.822 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.4 tp10 -60.8 -36.42 78.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 174.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.922 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -60.95 -61.53 2.51 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.832 -1.531 . . . . 0.0 111.526 178.124 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -51.21 -29.23 13.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.179 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -82.16 -20.39 10.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 2.2 mm-40 -85.0 -18.19 35.23 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.702 HG22 ' HA ' ' A' ' 5' ' ' GLU . 81.2 p -41.38 155.76 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.739 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.33 39.4 13.91 Favored Glycine 0 C--N 1.329 0.156 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.706 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.9 tpp -56.44 133.87 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -137.36 102.67 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.783 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 110.857 -179.517 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.746 0.308 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.795 HG23 ' HA2' ' A' ' 55' ' ' GLY . 34.2 m 50.49 76.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -133.4 14.15 4.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.665 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD21 ' A' ' 7' ' ' LEU . 1.1 mp0 -110.03 -22.07 11.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.145 0.498 . . . . 0.0 111.022 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.871 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.1 tt0 -66.89 -32.77 74.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 6.0 mm-40 -59.92 -55.01 39.36 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.965 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -72.96 -28.39 62.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.72 -30.5 56.24 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.21 -39.95 74.86 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 173.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -56.72 -39.66 74.32 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.363 173.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.543 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.9 -41.9 64.84 Favored 'General case' 0 C--N 1.343 0.318 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.46 -46.35 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.599 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.45 -49.93 69.54 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.421 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.967 HD12 HG23 ' A' ' 40' ' ' VAL . 1.2 mm? -50.77 -50.02 56.85 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.472 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 1.7 t-80 -54.95 -34.23 63.07 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.6 t0 -73.87 -34.64 64.55 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.709 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.24 -35.43 26.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.431 0.634 . . . . 0.0 109.76 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -23.45 42.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.032 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -67.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.099 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -60.81 -76.13 0.25 Allowed Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.265 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.73 -166.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.713 0.768 . . . . 0.0 111.132 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.597 HH12 ' HB3' ' A' ' 37' ' ' ALA . 1.8 tpt85 -154.22 -42.56 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.088 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.653 ' HA ' HD21 ' A' ' 17' ' ' LEU . 59.1 t -152.12 127.8 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.729 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.28 143.08 45.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.825 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -149.93 114.78 5.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.098 179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -130.82 163.71 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -120.62 119.51 33.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.907 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -111.15 -175.16 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -103.04 37.13 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.28 -51.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.405 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 2.1 tpt85 -125.87 170.74 11.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.558 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.81 131.3 55.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' ' 28' ' ' LYS . 2.0 t -116.24 101.69 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.293 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.701 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.26 108.43 10.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.5 m-85 -142.24 162.33 35.74 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.605 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.8 p -124.12 -163.03 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.493 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.597 ' HB3' HH12 ' A' ' 22' ' ' ARG . . . -88.82 44.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.637 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -134.33 -53.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.329 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -96.17 -10.5 28.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.055 178.06 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.967 HG23 HD12 ' A' ' 14' ' ' LEU . 1.6 p -46.98 -26.4 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.238 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.357 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 m -64.77 -53.69 43.13 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.222 0.534 . . . . 0.0 109.69 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.96 90.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.825 0.821 . . . . 0.0 109.207 176.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.18 -45.42 88.47 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.587 178.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.77 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.52 -34.07 34.6 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.322 -178.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.7 tptt -63.01 -54.16 42.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.468 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.65 -51.03 71.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.005 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.9 tp -64.27 -32.07 56.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.957 0.408 . . . . 0.0 110.195 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.07 -40.37 95.55 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.305 0.574 . . . . 0.0 109.529 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.833 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -60.23 -33.45 72.29 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.94 -60.75 2.38 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.311 -1.313 . . . . 0.0 111.903 179.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.5 pp20? -49.33 -36.5 21.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.941 -178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.833 HG12 ' O ' ' A' ' 49' ' ' GLU . 9.4 p -69.15 -28.62 39.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-O 121.47 0.653 . . . . 0.0 110.555 178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.1 mm100 -74.47 -97.46 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.288 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.871 HG22 ' HA ' ' A' ' 5' ' ' GLU . 67.1 p 54.15 155.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.273 0.559 . . . . 0.0 112.286 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.795 ' HA2' HG23 ' A' ' 2' ' ' THR . . . 41.85 28.79 0.47 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.93 -0.577 . . . . 0.0 113.212 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.5 tpp -67.94 114.87 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.933 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -99.08 109.51 22.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.424 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 99.989999999999995 110.989 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.845 0.355 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.8 p -97.45 173.25 7.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -140.59 -52.28 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -83.84 -19.41 34.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.261 0.553 . . . . 0.0 110.366 178.321 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.741 ' HA ' HG22 ' A' ' 54' ' ' THR . 46.5 tt0 -67.99 -32.63 73.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.828 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 25.3 mt-10 -60.3 -55.11 37.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.914 0.387 . . . . 0.0 111.016 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.711 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.2 pt? -73.09 -28.27 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 5' ' ' GLU . . . -54.94 -30.63 59.14 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -69.81 -39.33 76.6 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 173.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.711 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.04 -39.88 75.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.343 173.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -52.93 -41.48 64.51 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 175.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.74 -47.42 67.42 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.725 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -63.99 -49.31 72.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.496 176.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.976 HD12 HG23 ' A' ' 40' ' ' VAL . 1.1 mm? -50.93 -48.89 60.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.412 -179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' ARG . 2.3 t60 -55.13 -35.55 64.81 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.1 t0 -73.61 -33.58 64.64 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.858 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.784 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.81 -35.48 32.33 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.392 0.615 . . . . 0.0 109.56 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -19.41 46.18 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.267 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.2 -68.9 0.15 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -62.18 -74.95 0.35 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.336 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.66 -166.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.68 0.752 . . . . 0.0 110.964 179.256 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HG3' HG23 ' A' ' 23' ' ' VAL . 12.1 tpt180 -155.18 -42.19 0.08 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.094 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 36' ' ' THR . 24.7 t -151.89 126.67 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 121.324 0.583 . . . . 0.0 111.628 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.12 143.19 47.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.768 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -155.6 120.53 4.78 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.927 176.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.24 164.2 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.952 -177.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.62 124.86 50.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.701 ' CE ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -116.89 -174.89 2.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -178.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -105.05 27.26 8.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.864 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.65 -48.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.562 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 1.6 tpt180 -131.88 170.83 14.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.03 127.78 54.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.996 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.701 HG23 ' CE ' ' A' ' 28' ' ' LYS . 2.1 t -116.93 101.76 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.638 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 1.9 mt-10 -130.32 108.79 10.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 173.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.852 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.1 m-85 -140.2 162.43 35.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 23' ' ' VAL . 5.9 p -124.74 -160.66 0.96 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.238 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -89.7 42.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.797 0.332 . . . . 0.0 111.72 -178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -128.59 -52.58 1.26 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.987 0.422 . . . . 0.0 110.215 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -100.83 -8.46 22.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.272 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.976 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -47.19 -26.3 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 p -65.83 -53.62 37.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.248 0.547 . . . . 0.0 109.632 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -39.7 88.44 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.822 0.82 . . . . 0.0 109.171 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.852 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.06 -44.87 91.13 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.47 178.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.798 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.74 -34.54 39.66 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.518 -178.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.0 tptt -63.79 -53.2 54.56 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -58.09 -50.82 72.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.151 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.798 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -66.5 -31.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.626 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.137 0.494 . . . . 0.0 109.931 178.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.887 ' O ' HG12 ' A' ' 52' ' ' VAL . 37.3 tt0 -60.8 -35.29 76.1 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 175.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -63.82 -60.65 3.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.744 178.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.2 pp20? -49.77 -38.55 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.233 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 49' ' ' GLU . 7.7 p -64.79 -28.53 45.02 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.5 mm-40 -71.67 -106.83 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.837 176.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 5' ' ' GLU . 43.9 p 55.48 159.44 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.073 0.464 . . . . 0.0 112.192 177.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.22 39.44 3.08 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.073 -0.584 . . . . 0.0 113.113 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.479 ' HA ' ' CB ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -137.36 105.15 5.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 119.62 -0.229 . . . . 0.0 110.566 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.479 ' CB ' ' HA ' ' A' ' 56' ' ' MET . 0.2 OUTLIER 66.85 -162.48 0.23 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.333 1.053 . . . . 0.0 111.759 0.003 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.422 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 99.989999999999995 110.89 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.829 0.347 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -107.78 -51.02 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -67.17 -15.24 63.59 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.372 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.711 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.6 OUTLIER -68.77 -39.95 79.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.831 0.348 . . . . 0.0 111.917 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.91 -55.0 35.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.234 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.713 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.3 pt? -72.86 -28.51 62.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.77 -30.61 61.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.597 0.713 . . . . 0.0 109.321 174.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.36 -37.83 74.69 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 173.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.33 -38.74 81.08 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.187 173.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.92 -40.68 66.93 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 175.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.13 -46.99 69.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.553 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.34 -50.07 69.19 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.665 176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.97 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.63 -50.64 53.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.461 -179.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 13.2 t-80 -54.93 -34.32 63.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -73.44 -34.07 65.23 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.724 175.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.72 -36.02 34.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.366 0.603 . . . . 0.0 109.768 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -16.38 50.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.393 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.9 -69.62 0.15 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.75 0.309 . . . . 0.0 111.172 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -64.26 -74.7 0.43 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.41 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.601 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.28 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.718 0.771 . . . . 0.0 110.936 179.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.509 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.2 ttp180 -153.42 -43.75 0.09 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.657 -1.156 . . . . 0.0 109.819 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.632 ' HA ' HD21 ' A' ' 17' ' ' LEU . 97.6 t -148.53 127.87 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -120.71 150.23 41.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.691 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -164.27 121.1 1.64 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.348 176.269 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 7' ' ' LEU . 1.5 m -130.51 168.36 23.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.675 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -126.25 120.42 29.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.46 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.785 ' NZ ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -100.04 -83.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.234 -178.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -179.72 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.5 -25.21 7.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -133.64 170.64 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.124 0.487 . . . . 0.0 111.289 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' OE1' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -123.82 127.08 47.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.88 -178.471 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.785 HG23 ' NZ ' ' A' ' 28' ' ' LYS . 1.5 t -117.49 100.24 9.81 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.906 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 0.9 OUTLIER -132.64 108.63 9.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 173.179 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.842 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.7 m-85 -140.27 162.05 36.2 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -173.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.618 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -124.49 -161.92 1.04 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.141 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.96 42.11 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.0 p -130.23 -52.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.49 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -98.46 -10.19 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.113 178.425 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.97 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -46.64 -26.46 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.593 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.4 t -65.43 -53.67 39.65 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.37 0.605 . . . . 0.0 109.583 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -39.85 89.28 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 121.832 0.825 . . . . 0.0 109.18 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.842 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -64.35 -45.05 89.49 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.579 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -34.22 37.39 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.465 -178.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptt -64.03 -52.82 57.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -58.74 -50.28 74.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -66.8 -31.95 55.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.804 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HG3' ' A' ' 51' ' ' GLU . . . -64.39 -42.34 96.18 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.51 0.671 . . . . 0.0 109.723 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.877 ' O ' HG12 ' A' ' 52' ' ' VAL . 78.0 tt0 -59.33 -33.31 70.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 175.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.01 -60.82 2.46 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.044 178.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -48.01 -29.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.699 0.285 . . . . 0.0 110.863 -178.043 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 49' ' ' GLU . 5.8 p -80.59 -25.51 11.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 121.125 0.488 . . . . 0.0 111.549 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 1.8 mm100 -75.37 -26.2 58.32 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.285 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.711 HG22 ' HA ' ' A' ' 5' ' ' GLU . 63.3 p -38.29 160.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.346 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 56' ' ' MET . . . 81.1 -63.68 4.27 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.392 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 4' ' ' GLN . 0.6 OUTLIER 31.92 45.37 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.51 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -84.25 121.9 28.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.425 20.4 pt20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.922 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.787 0.327 . . . . 0.0 111.249 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 t -51.02 135.66 24.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.741 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' HG3' ' HB2' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -146.34 15.5 1.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.749 -179.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.574 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -105.83 -15.29 14.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.856 0.36 . . . . 0.0 111.264 178.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.629 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -67.89 -42.32 81.37 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -53.79 -55.03 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.712 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.5 pt? -75.02 -29.44 60.82 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.233 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' ARG . . . -54.24 -30.31 49.77 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 173.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -72.04 -39.13 69.32 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -60.91 -35.72 77.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.07 174.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.571 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.51 -42.07 70.37 Favored 'General case' 0 C--N 1.342 0.272 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 174.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.51 -46.64 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.782 178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -64.01 -49.07 73.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.458 176.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.987 HD12 HG23 ' A' ' 40' ' ' VAL . 1.4 mm? -50.89 -48.82 60.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.556 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 17.5 t60 -55.42 -34.91 64.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 176.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.8 OUTLIER -73.42 -34.26 65.38 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.616 -1.175 . . . . 0.0 110.662 175.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.803 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.55 -35.79 31.4 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.348 0.594 . . . . 0.0 109.763 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -21.26 54.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.128 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.48 -68.76 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -61.6 -75.85 0.28 Allowed Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.297 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.46 -166.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.74 0.781 . . . . 0.0 110.83 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG2' HG23 ' A' ' 23' ' ' VAL . 29.6 ttp180 -153.88 -43.93 0.09 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.912 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HA ' HD21 ' A' ' 17' ' ' LEU . 98.5 t -149.42 128.4 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 134.34 55.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.648 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -142.34 112.72 7.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.361 179.184 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -133.21 168.37 24.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 -179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -127.18 123.91 37.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.483 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.798 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.84 171.34 7.46 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.868 0.366 . . . . 0.0 110.78 -177.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.408 ' HB2' ' HG3' ' A' ' 3' ' ' ARG . 24.6 t0 -64.69 -13.62 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.324 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.53 -35.74 0.15 Allowed Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.211 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 3.9 tpt180 -122.52 170.64 9.79 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.594 0.712 . . . . 0.0 112.112 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 129.36 51.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.417 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.798 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.3 t -114.45 101.87 13.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.63 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 12.3 mt-10 -125.87 108.68 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 m-85 -142.33 162.17 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.602 ' HB ' HG22 ' A' ' 23' ' ' VAL . 5.4 p -125.39 -162.42 1.11 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.367 177.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . . . -88.95 42.96 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.662 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -131.56 -51.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.032 0.444 . . . . 0.0 110.222 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.468 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -99.04 -11.56 21.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.1 178.421 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.987 HG23 HD12 ' A' ' 14' ' ' LEU . 1.5 p -45.79 -26.31 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.671 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.3 t -65.96 -53.72 35.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.245 0.545 . . . . 0.0 109.609 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -40.17 90.58 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.826 0.822 . . . . 0.0 109.135 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -63.36 -44.65 94.2 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.522 178.556 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.767 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.68 -35.21 41.67 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 -178.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 9.6 tptm -63.75 -52.53 60.0 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.26 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.948 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.7 tp -65.43 -32.21 57.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.411 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -63.4 -40.07 96.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.246 0.546 . . . . 0.0 109.749 178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.828 ' O ' HG12 ' A' ' 52' ' ' VAL . 7.6 tt0 -59.77 -34.74 73.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 174.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.698 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -65.77 -60.69 2.63 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.929 179.083 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -50.33 -37.28 35.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.84 -178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.5 p -67.88 -28.52 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.337 0.589 . . . . 0.0 110.347 178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.7 mm-40 -73.26 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.964 177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 5' ' ' GLU . 66.6 p 52.69 163.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.904 0.383 . . . . 0.0 111.694 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.41 28.47 0.58 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.031 -0.604 . . . . 0.0 113.0 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.8 tpp -74.26 96.62 2.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 0.0 111.148 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.1 m -98.61 -31.59 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 111.037 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.801 0.334 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 t -160.53 -164.74 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 49.94 68.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.01 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -100.1 -21.47 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 110.926 179.116 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.844 ' HA ' HG22 ' A' ' 54' ' ' THR . 6.2 tm-20 -66.3 -32.62 74.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.916 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.38 -54.76 41.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.103 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.694 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pt? -74.0 -28.38 61.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -55.01 -30.84 60.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.7 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.48 -39.5 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 173.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.06 -39.23 74.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.417 173.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -52.73 -43.28 65.61 Favored 'General case' 0 C--N 1.343 0.283 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.05 -41.39 62.28 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.543 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -69.83 -50.19 45.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.633 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.874 HD12 HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.01 -50.84 57.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.466 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -55.3 -34.01 63.77 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 177.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' N ' ' CD2' ' A' ' 15' ' ' HIS . 1.0 OUTLIER -71.8 -34.42 69.36 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.176 175.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.9 tt -50.64 -36.31 34.75 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.249 0.547 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -19.96 14.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.2 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.19 -65.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.445 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -68.26 -72.21 0.85 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.674 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.25 -163.38 0.0 OUTLIER 'General case' 0 CA--C 1.527 0.091 0 CA-C-O 121.528 0.68 . . . . 0.0 111.056 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.61 ' O ' HD21 ' A' ' 17' ' ' LEU . 16.0 tpt180 -162.21 -38.66 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.471 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 36' ' ' THR . 1.5 m -154.96 125.76 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.682 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.6 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.89 133.61 55.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -140.23 114.88 9.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.285 179.017 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.609 HG23 ' N ' ' A' ' 27' ' ' GLN . 0.5 OUTLIER -130.41 172.17 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.756 0.788 . . . . 0.0 112.131 -177.385 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.609 ' N ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -127.88 119.18 25.06 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.196 -1.366 . . . . 0.0 111.403 -178.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.983 ' HE2' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -112.34 -176.0 2.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.505 178.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -99.59 35.13 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.16 -51.87 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.442 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 6.9 tpt180 -120.28 171.1 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 135.67 54.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.678 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.983 HG23 ' HE2' ' A' ' 28' ' ' LYS . 1.4 t -116.71 102.04 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.31 177.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 3.7 mm-40 -127.81 108.11 10.44 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.816 ' CB ' HD12 ' A' ' 43' ' ' LEU . 19.3 m-85 -142.5 162.3 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -175.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.683 HG22 HG12 ' A' ' 23' ' ' VAL . 3.0 p -126.13 -155.78 0.7 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.984 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -96.36 37.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.683 -177.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -125.11 -44.95 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.286 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -107.96 -8.35 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.473 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.874 HG23 HD12 ' A' ' 14' ' ' LEU . 1.7 p -48.65 -26.3 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.301 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -53.59 48.13 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.252 0.549 . . . . 0.0 109.532 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -40.76 93.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.391 176.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.816 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.81 -46.35 88.37 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.598 178.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.775 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.19 -34.33 31.31 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.225 -178.422 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 3.7 tptt -62.18 -54.08 46.09 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.1 -51.37 70.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.239 179.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.775 HG22 ' HA ' ' A' ' 44' ' ' LYS . 2.0 tp -63.48 -32.3 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 110.018 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -62.32 -40.67 97.1 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 109.688 178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.848 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.3 tm-20 -59.99 -34.28 73.1 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 174.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.623 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -66.1 -60.6 2.66 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.858 179.172 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 1.9 pp20? -49.53 -36.35 23.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.98 -178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.3 p -69.57 -28.16 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 CA-C-O 121.409 0.624 . . . . 0.0 110.602 178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.2 mm-40 -74.2 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.215 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.844 HG22 ' HA ' ' A' ' 5' ' ' GLU . 70.2 p 53.99 157.78 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.256 0.551 . . . . 0.0 112.382 177.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 42.16 28.5 0.52 Allowed Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.854 -0.612 . . . . 0.0 113.195 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.77 63.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.949 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.91 109.97 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.946 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 2' ' ' THR . 16.1 ttm . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.684 0.278 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 1' ' ' MET . 6.7 t 48.69 179.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.03 35.15 2.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HA ' HD21 ' A' ' 7' ' ' LEU . 2.9 mp0 -65.27 -15.8 62.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.049 0.452 . . . . 0.0 111.43 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.707 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -65.46 -42.24 92.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.988 -0.445 . . . . 0.0 112.151 -178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.4 mm-40 -54.26 -54.87 34.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.33 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD21 HD11 ' A' ' 50' ' ' LEU . 2.3 pt? -74.39 -29.41 61.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.163 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' CB ' HG22 ' A' ' 54' ' ' THR . . . -55.9 -30.07 61.0 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.03 -38.35 72.58 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 173.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.75 -37.21 78.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.184 173.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -54.73 -41.99 71.03 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 175.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.69 -46.17 67.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.761 178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.09 -47.93 72.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.896 176.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -52.27 -51.72 56.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.382 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 12.1 t-80 -54.88 -32.2 60.65 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -72.12 -36.05 69.31 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.986 175.091 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.7 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 1.5 tt -50.4 -35.62 29.11 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.394 0.616 . . . . 0.0 109.933 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -31.32 71.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.889 177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -152.79 65.34 0.79 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.13 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . 155.85 -78.98 0.19 Allowed Glycine 0 C--N 1.329 0.174 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.51 -160.84 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.457 0.646 . . . . 0.0 109.852 176.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 17' ' ' LEU . 42.3 ttt-85 -164.02 -37.94 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.362 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.558 HG22 ' HB ' ' A' ' 36' ' ' THR . 64.1 t -156.06 123.34 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.246 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.09 133.69 55.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.819 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -139.06 112.68 8.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.007 179.045 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.81 167.85 25.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.176 -179.256 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -127.06 124.15 38.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.699 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.758 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.53 -176.34 3.05 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.402 -178.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -80.12 -12.84 59.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.169 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -120.91 -50.32 0.27 Allowed Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.897 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -134.96 170.47 15.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.29 0.567 . . . . 0.0 111.743 -179.237 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 4.2 ptp180 -108.69 138.72 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.818 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.758 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -113.07 101.37 12.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.278 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 16.4 mt-10 -123.82 109.4 13.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.688 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.8 m-85 -141.51 162.17 36.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -175.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.558 ' HB ' HG22 ' A' ' 23' ' ' VAL . 6.4 p -126.41 -154.44 0.63 Allowed 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.296 178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.7 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -97.49 37.21 1.39 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.529 -177.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.1 p -125.65 -43.32 1.88 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.333 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -106.6 -11.05 15.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.398 179.222 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' HE3' ' A' ' 44' ' ' LYS . 1.4 p -46.58 -26.52 0.7 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 -178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -53.87 33.93 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.19 0.519 . . . . 0.0 109.66 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -37.96 86.99 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.672 0.749 . . . . 0.0 109.251 176.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD13 ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.65 -47.14 79.61 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.647 178.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.783 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -51.54 -32.99 30.19 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.4 -178.719 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 4.6 tptt -63.42 -54.12 41.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 175.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -59.36 -50.94 72.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.04 179.161 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.783 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.4 tp -63.98 -31.87 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.273 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.88 -39.35 93.4 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.309 0.576 . . . . 0.0 109.542 178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.731 ' O ' HG12 ' A' ' 52' ' ' VAL . 19.7 tt0 -59.87 -30.4 68.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 174.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD11 HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -70.26 -60.44 2.28 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.073 179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -49.81 -30.79 10.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.854 -178.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 49' ' ' GLU . 8.2 p -76.37 -28.99 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 CA-C-O 121.248 0.547 . . . . 0.0 110.684 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 5.8 mm-40 -78.67 -79.38 0.13 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.42 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.707 HG22 ' HA ' ' A' ' 5' ' ' GLU . 9.9 p 49.42 169.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.03 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.06 -93.94 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.519 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 54' ' ' THR . 2.7 ttm 46.07 87.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.217 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 m 69.79 103.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 110.873 -179.775 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.908 0.385 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.518 HG21 ' CA ' ' A' ' 55' ' ' GLY . 18.9 p -68.89 -160.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.78 -48.59 3.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.605 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -64.31 -15.88 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.522 -178.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.665 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.7 OUTLIER -70.34 -39.51 74.65 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 122.029 -0.419 . . . . 0.0 111.69 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.4 mm-40 -55.63 -55.0 37.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.406 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.6 pt? -73.76 -28.86 61.89 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.03 -30.5 59.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -71.28 -38.23 71.83 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -59.18 -38.53 80.02 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.009 173.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.64 -42.56 67.93 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.203 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -52.78 -45.11 67.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.704 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -66.48 -47.62 72.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.717 176.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.029 HD12 HG23 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -52.97 -51.5 61.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' HB2' ' NE ' ' A' ' 11' ' ' ARG . 4.2 t60 -55.1 -31.35 61.17 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.479 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -72.73 -33.12 66.2 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.222 175.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.762 ' CD2' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -50.14 -37.43 34.41 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.716 0.769 . . . . 0.0 109.369 179.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -23.03 3.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.119 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.51 -63.53 0.16 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.471 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -67.7 -72.38 0.8 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.65 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -53.48 -164.12 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.582 0.705 . . . . 0.0 111.049 179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.653 ' O ' HD21 ' A' ' 17' ' ' LEU . 15.0 tpp180 -163.96 -37.22 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.552 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.638 HG13 HG22 ' A' ' 36' ' ' THR . 60.5 t -156.68 123.54 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.822 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.34 134.28 55.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.017 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -140.65 113.03 7.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.957 179.195 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -132.47 168.22 24.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.163 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.93 123.51 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.49 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.29 168.58 9.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 110.683 -178.033 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -67.04 -15.22 63.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.22 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.87 12.31 1.69 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.448 -0.882 . . . . 0.0 113.219 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 5.7 tpp180 -167.53 170.42 11.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.535 0.684 . . . . 0.0 111.82 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -127.96 131.22 49.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.684 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.5 t -115.9 101.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.21 177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.4 mt-10 -123.39 108.61 12.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.2 m-85 -142.36 159.38 42.35 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.638 HG22 HG13 ' A' ' 23' ' ' VAL . 6.7 p -124.64 -155.3 0.66 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.045 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.762 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . . . -95.96 35.67 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.561 -176.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -123.9 -41.88 2.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.378 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.488 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -111.51 -7.15 14.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.521 179.515 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.029 HG23 HD12 ' A' ' 14' ' ' LEU . 2.0 p -51.77 -25.5 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.085 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -53.8 36.12 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -39.48 90.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.719 0.771 . . . . 0.0 108.934 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.757 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -62.77 -45.17 93.91 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.519 178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -51.46 -35.25 38.94 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.365 -178.512 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 19.1 tptt -62.7 -53.4 55.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 175.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.439 ' C ' ' CD1' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -59.55 -50.45 73.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 179.126 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.764 HG22 ' HA ' ' A' ' 44' ' ' LYS . 1.6 tp -65.16 -32.17 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.537 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 44' ' ' LYS . . . -64.77 -40.38 95.18 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.472 0.653 . . . . 0.0 109.526 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.857 ' O ' HG12 ' A' ' 52' ' ' VAL . 22.5 tt0 -59.77 -34.13 72.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.05 -60.7 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.302 -1.317 . . . . 0.0 112.028 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' A' ' 48' ' ' ALA . 2.2 pp20? -48.95 -28.56 3.94 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.727 -178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.857 HG12 ' O ' ' A' ' 49' ' ' GLU . 6.2 p -81.62 -25.76 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 CA-C-O 121.168 0.508 . . . . 0.0 111.583 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' O ' ' HE2' ' A' ' 56' ' ' MET . 1.6 mm100 -76.84 -20.03 56.82 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.189 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.665 HG22 ' HA ' ' A' ' 5' ' ' GLU . 82.3 p -43.05 161.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.613 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.518 ' CA ' HG21 ' A' ' 2' ' ' THR . . . 62.1 16.32 52.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.768 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.481 ' HE2' ' O ' ' A' ' 53' ' ' GLN . 20.4 tpp -53.78 102.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.3 m -70.7 125.46 26.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.927 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.57 96.15 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.88 -34.02 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HG3' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -78.6 -15.25 58.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.669 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.61 ' HA ' HG22 ' A' ' 54' ' ' THR . 0.2 OUTLIER -69.44 -40.23 77.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.049 0.452 . . . . 0.0 111.434 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -53.27 -54.95 28.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -177.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.685 HD13 ' HG2' ' A' ' 28' ' ' LYS . 2.4 pt? -74.58 -28.99 61.16 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.247 178.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' CB ' ' CG2' ' A' ' 54' ' ' THR . . . -55.83 -30.46 61.46 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 172.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -70.75 -38.37 73.49 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 173.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 7' ' ' LEU . . . -57.86 -38.31 75.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.882 173.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HB2' ' CG1' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -53.6 -41.49 66.69 Favored 'General case' 0 C--N 1.344 0.349 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 174.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 9' ' ' ALA . . . -53.15 -45.0 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.707 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.662 ' HB1' ' HG3' ' A' ' 21' ' ' LYS . . . -65.0 -47.6 76.94 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.049 HD12 HG23 ' A' ' 40' ' ' VAL . 1.7 mm? -50.78 -52.02 44.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.43 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 44' ' ' LYS . 47.0 t60 -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 175.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 21' ' ' LYS . 1.4 t0 -73.72 -35.11 65.06 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.034 172.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.767 HD13 HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -50.82 -35.63 33.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.399 0.619 . . . . 0.0 109.718 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.31 -23.24 55.84 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.981 178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.51 -68.8 0.19 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.127 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' ASP . . . -59.47 -77.09 0.19 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.201 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.662 ' HG3' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -52.48 -166.59 0.0 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.633 0.73 . . . . 0.0 110.954 178.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.46 -44.3 0.09 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.74 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.626 ' HA ' HD21 ' A' ' 17' ' ' LEU . 87.0 t -150.13 123.17 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.469 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . . . -107.76 130.05 54.99 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.567 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -137.37 112.74 9.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.715 179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -132.82 166.87 28.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.494 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -125.33 124.09 40.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.306 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.789 ' HD3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -102.58 179.65 4.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 111.049 -177.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.03 -15.67 61.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.072 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.38 12.25 1.58 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.237 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -169.73 170.19 8.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.543 0.687 . . . . 0.0 112.107 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 1.5 ptt180 -127.17 130.45 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.884 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.789 HG23 ' HD3' ' A' ' 28' ' ' LYS . 2.6 t -113.56 101.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.659 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' THR . 4.1 mt-10 -120.73 109.23 14.93 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.726 ' CB ' HD12 ' A' ' 43' ' ' LEU . 17.5 m-85 -142.25 163.97 31.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -175.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.647 ' C ' HD23 ' A' ' 17' ' ' LEU . 2.2 p -125.77 -170.28 2.16 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.804 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.79 48.57 1.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -141.47 -46.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.079 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.84 -8.07 21.06 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.273 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.049 HG23 HD12 ' A' ' 14' ' ' LEU . 2.4 p -49.57 -25.42 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.07 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.1 t -66.06 -53.89 32.67 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.116 0.484 . . . . 0.0 109.863 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -43.63 93.77 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.161 0.982 . . . . 0.0 108.7 175.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.726 HD12 ' CB ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -58.69 -42.47 88.62 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.681 177.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.805 ' HA ' HG22 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -52.74 -35.85 56.78 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.079 -177.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -61.49 -52.25 65.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CE1' HD22 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -60.63 -50.3 74.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.405 178.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.976 HD12 HD23 ' A' ' 50' ' ' LEU . 2.2 tp -64.12 -30.11 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 121.164 0.507 . . . . 0.0 110.453 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -67.87 -41.93 82.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.863 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.773 ' O ' HG12 ' A' ' 52' ' ' VAL . 67.6 tt0 -59.93 -33.57 72.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.976 HD23 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.51 -61.72 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.053 -1.431 . . . . 0.0 111.79 178.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -51.96 -26.68 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 -177.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 49' ' ' GLU . 10.0 p -83.05 -24.87 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.847 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -83.27 -16.63 45.55 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.66 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 5' ' ' GLU . 71.9 p -39.89 154.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 45.41 35.68 5.44 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.902 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 53' ' ' GLN . 5.7 ttm -50.28 129.17 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.935 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 58.59 22.57 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . 2.427 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.971 179.436 . . . . . . . . 2 2 . 1 stop_ save_