data_1pzr_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 1pzr _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 ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 69' ' ' MET . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.66 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.592 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.875 HD11 HG11 ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.552 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' B' ' 93' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.745 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.884 HG23 HG23 ' B' ' 100' ' ' THR . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.556 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HB3' HD23 ' B' ' 104' ' ' LEU . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.669 ' N ' HD13 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.522 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.563 ' HB ' ' CG2' ' B' ' 107' ' ' VAL . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.706 HG21 ' N ' ' A' ' 109' ' ' ALA . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.706 ' N ' HG21 ' A' ' 108' ' ' THR . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.798 HD12 HG11 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.781 HG13 HG13 ' B' ' 114' ' ' VAL . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.588 ' CA ' HG12 ' B' ' 114' ' ' VAL . 4.9 pt-20 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.477 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.466 ' HA ' ' HE3' ' B' ' 69' ' ' MET . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' A' ' 97' ' ' LEU . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' B' ' 66' ' ' LEU . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.84 HD22 HG12 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.466 ' CE1' ' HG3' ' B' ' 103' ' ' GLU . 4.2 m-30 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.804 HG21 HD12 ' B' ' 93' ' ' LEU . 86.6 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.67 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.439 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.804 HD12 HG21 ' B' ' 89' ' ' THR . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.67 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.549 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.737 ' HD2' HD13 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.75 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' VAL . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.875 HG11 HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' THR . . . . . 0.554 ' N ' HG23 ' B' ' 101' ' ' VAL . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.551 ' O ' HG21 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.518 ' O ' HG21 ' B' ' 108' ' ' THR . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.439 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.566 HG12 ' CA ' ' A' ' 108' ' ' THR . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.518 HG21 ' O ' ' B' ' 105' ' ' ASP . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.511 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 111' ' ' LEU . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.798 HG11 HD12 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.786 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.642 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.696 ' HE3' HG12 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.841 HD21 HG23 ' A' ' 100' ' ' THR . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HZ ' HG22 ' A' ' 100' ' ' THR . 8.3 m-30 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.575 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 87.1 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.929 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.554 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.841 HG23 HD21 ' A' ' 70' ' ' LEU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.808 HG23 HG23 ' B' ' 100' ' ' THR . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.792 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.74 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.978 HG21 HG13 ' B' ' 107' ' ' VAL . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.701 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.686 HD11 HG21 ' B' ' 107' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.763 HG12 HG12 ' B' ' 114' ' ' VAL . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.48 ' CA ' HG11 ' B' ' 114' ' ' VAL . 1.1 pt-20 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.629 ' H ' HD23 ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.582 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.481 ' CE ' HG13 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' B' ' 103' ' ' GLU . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.797 HG21 HD13 ' B' ' 93' ' ' LEU . 91.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.63 0.252 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.929 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.685 ' HD2' HD11 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.825 ' HA ' HD11 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.808 HG23 HG23 ' A' ' 101' ' ' VAL . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.786 HG11 ' HB3' ' A' ' 66' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 109' ' ' ALA . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.512 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.978 HG13 HG21 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.539 HG23 ' HA ' ' B' ' 105' ' ' ASP . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' B' ' 105' ' ' ASP . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.512 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 114' ' ' VAL . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.659 ' HA ' HD11 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.599 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.622 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.797 HD12 HG13 ' B' ' 101' ' ' VAL . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.585 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.702 ' HZ ' HG23 ' A' ' 100' ' ' THR . 4.9 m-30 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.548 0.213 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.66 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.888 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.757 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.625 ' O ' HG11 ' A' ' 101' ' ' VAL . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.741 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.818 ' HA ' HD21 ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.741 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.818 HD21 ' HA ' ' A' ' 101' ' ' VAL . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.832 HG13 ' HB ' ' B' ' 107' ' ' VAL . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.732 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.732 ' N ' HG22 ' A' ' 108' ' ' THR . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 111' ' ' LEU . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.682 HG12 HG21 ' B' ' 114' ' ' VAL . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.754 ' HB3' HG12 ' B' ' 114' ' ' VAL . 2.0 pt-20 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 97' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.52 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.67 HD23 HG13 ' A' ' 101' ' ' VAL . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.52 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.486 ' N ' ' HD1' ' B' ' 74' ' ' PHE . 2.0 m-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.768 HG22 HD11 ' B' ' 93' ' ' LEU . 88.0 m . . . . . 0 CA--C 1.526 0.057 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.888 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.874 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 97' ' ' LEU . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 67' ' ' PHE . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.874 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.81 HG21 HG12 ' A' ' 101' ' ' VAL . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 103' ' ' GLU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.608 ' O ' ' HB3' ' B' ' 109' ' ' ALA . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.563 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.832 ' HB ' HG13 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.511 HG22 ' N ' ' B' ' 109' ' ' ALA . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' B' ' 105' ' ' ASP . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.678 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 115' ' ' GLU . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' HB3' HG13 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.723 ' HE3' HG11 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HG22 ' B' ' 101' ' ' VAL . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.554 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 90' ' ' GLU . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 92' ' ' LYS . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 101' ' ' VAL . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HG3' HD21 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.827 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 97' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' SER . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.827 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.666 ' HA ' HG21 ' A' ' 108' ' ' THR . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.502 HG13 HG12 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.799 HG23 ' N ' ' A' ' 109' ' ' ALA . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.799 ' N ' HG23 ' A' ' 108' ' ' THR . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 106' ' ' SER . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.651 HD13 HG11 ' B' ' 114' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.582 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.779 HG13 HG13 ' B' ' 114' ' ' VAL . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.572 ' CA ' HG12 ' B' ' 114' ' ' VAL . 7.0 pt-20 . . . . . 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.47 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.663 ' HA ' HD22 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.496 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 101' ' ' VAL . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.755 HG22 HD11 ' B' ' 93' ' ' LEU . 71.0 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' B' ' 92' ' ' LYS . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.755 HD11 HG22 ' B' ' 89' ' ' THR . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.532 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.549 ' O ' HG23 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.88 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.574 HG21 ' CG2' ' A' ' 100' ' ' THR . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.723 HG11 ' HE3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.493 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.591 HD21 ' OG1' ' A' ' 100' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.551 ' O ' ' HB1' ' B' ' 109' ' ' ALA . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 108' ' ' THR . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.56 HG23 ' N ' ' B' ' 109' ' ' ALA . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.779 HG13 HG13 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.579 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.629 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.491 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.844 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.579 ' HE2' HG12 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.565 HD13 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.492 ' O ' HD11 ' A' ' 93' ' ' LEU . 74.2 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.722 0.296 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.558 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.782 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' B' ' 93' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.782 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' B' ' 97' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.591 ' HA ' HD22 ' B' ' 97' ' ' LEU . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.901 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.745 HG23 HD13 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.438 ' OG1' HD12 ' B' ' 66' ' ' LEU . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.901 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.7 ' HA ' HG23 ' A' ' 108' ' ' THR . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.51 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.455 ' HB ' HG13 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.725 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.725 ' N ' HG22 ' A' ' 108' ' ' THR . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.566 ' CA ' HG12 ' B' ' 114' ' ' VAL . 4.4 pt-20 . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.633 ' H ' HD22 ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.525 ' HE1' ' HA ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.745 HD13 HG23 ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' B' ' 73' ' ' ARG . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.478 ' N ' ' HD1' ' B' ' 74' ' ' PHE . 2.0 m-30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.816 HG22 HD11 ' B' ' 93' ' ' LEU . 45.7 m . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.587 0.232 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.639 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.908 ' HB3' HD22 ' A' ' 93' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.632 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.632 ' CD1' ' HG3' ' B' ' 95' ' ' ARG . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.874 ' HA ' HG21 ' B' ' 100' ' ' THR . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.874 HG21 ' HA ' ' B' ' 97' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.844 HG11 ' HB3' ' A' ' 66' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.605 HD21 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' B' ' 109' ' ' ALA . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.493 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.624 HG23 HD22 ' A' ' 111' ' ' LEU . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.524 HG22 ' N ' ' B' ' 109' ' ' ALA . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.852 HG21 HD13 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.587 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.687 ' HB3' HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.68 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.699 ' HE3' HG12 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 100' ' ' THR . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.61 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.8 ' HZ ' HG22 ' A' ' 100' ' ' THR . 10.6 m-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 66.8 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.583 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.671 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.68 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HG3' HD21 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 70' ' ' LEU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 97' ' ' LEU . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.552 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.923 ' HB3' HD21 ' B' ' 104' ' ' LEU . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.702 ' N ' HD13 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.667 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.546 HG13 HD23 ' B' ' 111' ' ' LEU . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.714 ' N ' HG23 ' A' ' 108' ' ' THR . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.667 ' HD3' ' O ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG21 ' O ' ' A' ' 110' ' ' ARG . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 7.4 pt-20 . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.612 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.404 ' HE1' ' HB2' ' B' ' 69' ' ' MET . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.68 HD11 HG12 ' A' ' 101' ' ' VAL . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.704 HG22 HD13 ' B' ' 93' ' ' LEU . 88.2 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.497 0.189 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.455 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.704 HD13 HG22 ' B' ' 89' ' ' THR . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.658 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.622 ' HB2' HD21 ' A' ' 97' ' ' LEU . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.682 HG23 HG23 ' A' ' 101' ' ' VAL . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.805 HG23 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 103' ' ' GLU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' B' ' 108' ' ' THR . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 108' ' ' THR . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.537 HG21 ' HA ' ' B' ' 105' ' ' ASP . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.523 ' N ' HG23 ' B' ' 108' ' ' THR . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.546 HD23 HG13 ' A' ' 107' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.437 ' HA ' HG11 ' A' ' 114' ' ' VAL . 12.5 pt-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.498 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.626 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.708 ' HE3' HG11 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.729 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.592 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.731 ' HZ ' HG23 ' A' ' 100' ' ' THR . 9.5 m-30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.205 0.526 . . . . 0.0 110.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.73 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.789 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' O ' HG22 ' A' ' 100' ' ' THR . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.789 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.771 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.75 HG22 HG21 ' B' ' 100' ' ' THR . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.489 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.771 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.674 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.48 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.936 HG22 HG12 ' B' ' 107' ' ' VAL . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.774 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.694 ' N ' HG22 ' A' ' 108' ' ' THR . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG21 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.824 HD13 HG11 ' B' ' 114' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.806 HG13 HG13 ' B' ' 114' ' ' VAL . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.608 ' CA ' HG12 ' B' ' 114' ' ' VAL . 5.1 pt-20 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LEU . . . . . 0.745 HD13 ' HE2' ' B' ' 69' ' ' MET . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' MET . . . . . 0.745 ' HE2' HD13 ' B' ' 66' ' ' LEU . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' B' ' 96' ' ' TYR . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 3.8 m-30 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.681 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ARG . . . . . 0.888 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' TYR . . . . . 0.82 ' HD2' HD13 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.517 ' HA ' HD21 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . 0.888 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' THR . . . . . 0.75 HG21 HG22 ' A' ' 101' ' ' VAL . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' VAL . . . . . 0.789 HG13 ' HB3' ' A' ' 66' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 103' ' ' GLU . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.549 ' O ' ' HB1' ' B' ' 109' ' ' ALA . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . 0.936 HG12 HG22 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' N ' ' B' ' 109' ' ' ALA . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 111' ' ' LEU . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.597 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 69' ' ' MET . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.66 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.592 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.875 HD11 HG11 ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.552 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 -70.81 -19.95 62.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.97 59.76 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.065 -1.064 . . . . 0.0 113.582 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.0 139.69 47.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.343 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 140.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.615 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' H ' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -170.62 -151.8 0.08 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.882 0.373 . . . . 0.0 111.415 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 52.0 m-20 -152.11 -49.77 0.11 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.872 0.844 . . . . 0.0 110.383 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.85 138.81 58.64 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.2 130.82 48.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.407 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 1.6 pmm? -64.74 -40.49 95.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 56.84 -153.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.85 134.6 1.84 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.665 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -169.99 49.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.278 0.561 . . . . 0.0 110.427 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.91 135.98 38.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.858 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.34 68.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.242 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.3 mmt -153.69 -152.98 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.2 m -71.21 -45.54 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.958 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.617 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.621 ' HB3' HD21 ' B' ' 93' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.75 ' HG ' ' HB2' ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.745 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.884 HG23 HG23 ' B' ' 100' ' ' THR . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.556 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.938 ' HB3' HD23 ' B' ' 104' ' ' LEU . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.669 ' N ' HD13 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.522 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.563 ' HB ' ' CG2' ' B' ' 107' ' ' VAL . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.706 HG21 ' N ' ' A' ' 109' ' ' ALA . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.706 ' N ' HG21 ' A' ' 108' ' ' THR . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.798 HD12 HG11 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.781 HG13 HG13 ' B' ' 114' ' ' VAL . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.588 ' CA ' HG12 ' B' ' 114' ' ' VAL . 4.9 pt-20 -56.47 -42.03 77.55 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -67.85 -77.15 0.08 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.516 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 51.1 mtp85 -63.62 -49.18 74.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.264 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' B' ' 115' ' ' GLU . . . 60.51 -139.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.951 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.424 ' H ' ' HB2' ' A' ' 118' ' ' ALA . . . 178.46 137.93 2.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.615 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.477 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.466 ' HA ' ' HE3' ' B' ' 69' ' ' MET . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.65 ' HE1' HD22 ' A' ' 97' ' ' LEU . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' B' ' 66' ' ' LEU . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.84 HD22 HG12 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.466 ' CE1' ' HG3' ' B' ' 103' ' ' GLU . 4.2 m-30 -71.49 -20.26 62.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.71 56.91 0.07 OUTLIER Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.021 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.21 139.9 48.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.573 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.74 138.69 0.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -169.38 -151.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.284 . . . . 0.0 110.938 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.424 ' N ' ' HG2' ' B' ' 78' ' ' GLU . 1.9 m-20 -149.41 -47.42 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.475 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.5 137.58 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' B' ' 82' ' ' MET . 43.7 tp -60.2 130.37 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.521 ' SD ' HD11 ' B' ' 81' ' ' LEU . 1.6 pmm? -63.18 -41.08 99.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.6 m 58.06 -147.92 0.5 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.67 137.26 2.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -171.11 42.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.424 . . . . 0.0 110.703 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -69.61 135.44 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.58 -50.02 70.69 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 26.2 mmt -153.06 -149.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.672 0.272 . . . . 0.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.804 HG21 HD12 ' B' ' 93' ' ' LEU . 86.6 m -76.22 -44.24 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.67 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.439 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.804 HD12 HG21 ' B' ' 89' ' ' THR . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.67 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.549 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.737 ' HD2' HD13 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.75 ' HB2' ' HG ' ' A' ' 97' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' VAL . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.875 HG11 HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . 0.554 ' N ' HG23 ' B' ' 101' ' ' VAL . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.551 ' O ' HG21 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.518 ' O ' HG21 ' B' ' 108' ' ' THR . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.439 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.566 HG12 ' CA ' ' A' ' 108' ' ' THR . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.518 HG21 ' O ' ' B' ' 105' ' ' ASP . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.511 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.551 HD11 HD11 ' A' ' 111' ' ' LEU . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.798 HG11 HD12 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.464 ' O ' ' HB1' ' A' ' 118' ' ' ALA . 12.1 pt-20 -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -69.89 -67.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.605 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' B' ' 117' ' ' ARG . 47.3 mtp85 -67.64 -46.75 71.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.561 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.56 -142.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.93 135.75 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.358 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.579 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.786 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.642 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.696 ' HE3' HG12 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.841 HD21 HG23 ' A' ' 100' ' ' THR . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.618 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.799 ' HZ ' HG22 ' A' ' 100' ' ' THR . 8.3 m-30 -71.62 -19.27 62.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.49 -44.63 11.44 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.368 -0.833 . . . . 0.0 113.325 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.78 126.26 42.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.234 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.16 -49.76 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.671 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 66.7 -72.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.993 0.425 . . . . 0.0 111.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -43.92 -49.01 8.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.827 0.822 . . . . 0.0 111.242 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.76 140.14 56.75 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.371 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD21 ' H ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.8 -139.15 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.691 ' HA ' ' HE1' ' A' ' 82' ' ' MET . 2.7 tpt -175.49 -41.25 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.489 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -58.68 144.15 44.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.58 -134.73 1.85 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.38 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.7 53.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.154 0.502 . . . . 0.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 16.0 p-10 -65.22 141.09 58.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.18 -52.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.8 mtt -69.77 148.24 49.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.575 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 87.1 m -55.39 -48.07 74.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 86' ' ' ASN . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.614 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.929 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.554 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.841 HG23 HD21 ' A' ' 70' ' ' LEU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.808 HG23 HG23 ' B' ' 100' ' ' THR . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.792 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.74 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.978 HG21 HG13 ' B' ' 107' ' ' VAL . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.701 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.686 HD11 HG21 ' B' ' 107' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.763 HG12 HG12 ' B' ' 114' ' ' VAL . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.48 ' CA ' HG11 ' B' ' 114' ' ' VAL . 1.1 pt-20 -71.15 -113.36 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 37.8 t60 52.54 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 99.4 mtt180 67.74 21.87 9.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 48.29 43.79 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.946 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.12 -132.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.439 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.915 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.4 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.629 ' H ' HD23 ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.582 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.481 ' CE ' HG13 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.708 HD12 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' B' ' 103' ' ' GLU . 3.1 m-30 -71.06 -19.27 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.7 -40.36 32.97 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.843 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.91 127.31 44.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.25 -50.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 70.67 -60.35 0.5 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.685 0.394 . . . . 0.0 111.582 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.38 -44.11 92.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.83 135.91 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.05 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.89 -139.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.093 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.663 ' HE1' ' HA ' ' B' ' 82' ' ' MET . 2.6 tpt -173.75 -42.22 0.01 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -56.13 141.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.98 -133.57 1.62 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -170.52 49.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.702 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.407 ' HA ' ' HG2' ' B' ' 91' ' ' GLU . 15.9 p-10 -63.28 142.75 58.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.07 -50.26 0.03 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 64.5 mtt -69.66 145.83 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.682 0.277 . . . . 0.0 110.901 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.797 HG21 HD13 ' B' ' 93' ' ' LEU . 91.6 m -53.94 -47.92 70.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.407 ' HG2' ' HA ' ' B' ' 86' ' ' ASN . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.442 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.929 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.541 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.685 ' HD2' HD11 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.825 ' HA ' HD11 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.808 HG23 HG23 ' A' ' 101' ' ' VAL . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.786 HG11 ' HB3' ' A' ' 66' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.612 ' O ' ' HB2' ' B' ' 109' ' ' ALA . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.512 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.978 HG13 HG21 ' A' ' 107' ' ' VAL . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.539 HG23 ' HA ' ' B' ' 105' ' ' ASP . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' B' ' 105' ' ' ASP . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.512 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.574 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.763 HG12 HG12 ' A' ' 114' ' ' VAL . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 -74.19 -120.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.423 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 67.1 t60 59.63 103.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.36 . . . . 0.0 110.075 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 59.58 23.94 12.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.886 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.8 43.34 28.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.28 -133.83 2.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.781 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.978 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.659 ' HA ' HD11 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.599 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.622 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.797 HD12 HG13 ' B' ' 101' ' ' VAL . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.585 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.702 ' HZ ' HG23 ' A' ' 100' ' ' THR . 4.9 m-30 -71.08 -19.91 62.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.22 74.37 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.967 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 -46.03 2.55 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.576 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.19 47.23 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.226 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 8.5 mp0 56.48 158.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 112.433 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 9.9 t0 175.2 -65.78 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.391 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.64 141.31 55.28 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.867 -1.515 . . . . 0.0 111.365 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD21 ' H ' ' A' ' 81' ' ' LEU . 3.2 mm? -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.364 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.423 ' HB2' ' HE1' ' A' ' 82' ' ' MET . 25.2 ttm -164.46 -50.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.82 142.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.066 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 138.74 4.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.36 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -150.2 53.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.77 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.33 136.55 57.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.74 -46.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.461 ' CG ' ' HG3' ' A' ' 91' ' ' GLU . 16.2 ptp -174.92 167.08 3.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.338 0.59 . . . . 0.0 111.329 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.579 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m -58.04 -46.03 86.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.425 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.461 ' HG3' ' CG ' ' A' ' 88' ' ' MET . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.66 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.888 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.757 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.625 ' O ' HG11 ' A' ' 101' ' ' VAL . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.741 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.818 ' HA ' HD21 ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.741 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.818 HD21 ' HA ' ' A' ' 101' ' ' VAL . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.832 HG13 ' HB ' ' B' ' 107' ' ' VAL . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.732 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.732 ' N ' HG22 ' A' ' 108' ' ' THR . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.498 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' B' ' 111' ' ' LEU . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.682 HG12 HG21 ' B' ' 114' ' ' VAL . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.754 ' HB3' HG12 ' B' ' 114' ' ' VAL . 2.0 pt-20 -67.55 -107.31 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 61.4 t60 53.75 23.65 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.658 0.742 . . . . 0.0 109.818 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 16.8 ptm180 177.2 -27.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.986 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.67 -135.61 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.017 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -179.33 -46.69 0.08 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.596 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.815 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.539 ' CE1' HD11 ' A' ' 97' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.52 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.67 HD23 HG13 ' A' ' 101' ' ' VAL . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.52 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.486 ' N ' ' HD1' ' B' ' 74' ' ' PHE . 2.0 m-30 -70.8 -20.0 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.35 -43.23 97.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.272 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.74 -47.1 2.99 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.764 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.28 40.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.625 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 62.77 140.86 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.035 0.445 . . . . 0.0 111.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.58 -52.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.977 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.25 138.77 54.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.878 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.59 HD21 ' H ' ' B' ' 81' ' ' LEU . 3.1 mm? -61.2 -39.12 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.514 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 32.2 ttp -170.13 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.764 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m 62.62 143.93 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 111.831 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.36 126.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.428 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -134.16 51.64 2.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.711 0.291 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.85 137.45 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.83 -48.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.832 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.492 ' CG ' ' HG3' ' B' ' 91' ' ' GLU . 20.7 ptp -175.21 157.1 2.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.768 HG22 HD11 ' B' ' 93' ' ' LEU . 88.0 m -51.53 -43.54 62.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.844 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.56 ' HA ' HD13 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.492 ' HG3' ' CG ' ' B' ' 88' ' ' MET . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.888 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.874 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 97' ' ' LEU . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 67' ' ' PHE . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.874 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.81 HG21 HG12 ' A' ' 101' ' ' VAL . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.797 HG13 HD12 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 103' ' ' GLU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.608 ' O ' ' HB3' ' B' ' 109' ' ' ALA . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.563 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.832 ' HB ' HG13 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.511 HG22 ' N ' ' B' ' 109' ' ' ALA . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' B' ' 105' ' ' ASP . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.678 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.754 HG12 ' HB3' ' A' ' 115' ' ' GLU . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 -75.18 -118.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . 0.499 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 75.6 t60 57.9 27.21 14.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.401 0.619 . . . . 0.0 109.955 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 115' ' ' GLU . 16.1 ptm180 177.14 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.885 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.4 -139.45 0.51 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.46 -43.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.821 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' HB3' HG13 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.723 ' HE3' HG11 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD13 HG22 ' B' ' 101' ' ' VAL . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.821 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 57.8 tp60 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.698 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 -70.56 -14.94 62.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.88 -28.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.833 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.821 ' HA2' ' HA ' ' A' ' 72' ' ' GLN . . . 64.59 43.33 96.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.31 133.98 1.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.304 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 52.1 mt-10 -54.56 155.12 4.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.28 0.562 . . . . 0.0 111.553 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.6 t70 174.08 -68.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.275 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 49.3 mt 64.83 140.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.728 -1.578 . . . . 0.0 111.782 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 82' ' ' MET . 95.9 mt -66.82 -43.91 82.52 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.621 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 67.3 mtm 75.38 -45.01 0.54 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.295 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -65.01 141.92 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.77 -140.69 5.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.44 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -172.9 46.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.349 0.595 . . . . 0.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -149.18 -153.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.259 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 170.72 42.18 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.765 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.6 mtt -152.66 -150.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.077 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 82.0 m -60.94 -43.57 98.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.554 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.625 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 90' ' ' GLU . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 92' ' ' LYS . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.922 HD11 HG23 ' A' ' 101' ' ' VAL . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HG3' HD21 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.827 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.922 HG23 HD11 ' A' ' 97' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' SER . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.827 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.666 ' HA ' HG21 ' A' ' 108' ' ' THR . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.502 HG13 HG12 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.799 HG23 ' N ' ' A' ' 109' ' ' ALA . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.799 ' N ' HG23 ' A' ' 108' ' ' THR . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 106' ' ' SER . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.651 HD13 HG11 ' B' ' 114' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.582 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.779 HG13 HG13 ' B' ' 114' ' ' VAL . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.572 ' CA ' HG12 ' B' ' 114' ' ' VAL . 7.0 pt-20 -57.64 -45.58 85.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' HB3' ' H ' ' A' ' 117' ' ' ARG . 49.7 t60 -59.43 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.402 HH11 ' HG3' ' A' ' 117' ' ' ARG . 65.2 mtm-85 -81.57 51.92 1.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.976 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.24 -44.49 53.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.5 -135.46 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.62 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.816 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.47 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.663 ' HA ' HD22 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.496 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 101' ' ' VAL . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.752 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.631 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 -70.53 -19.04 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.44 -35.39 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.048 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.752 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . 70.14 42.85 66.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.128 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.85 134.98 2.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.9 140.91 56.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -172.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.457 HD22 ' N ' ' B' ' 80' ' ' LEU . 3.3 mm? 60.53 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 111.588 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 82' ' ' MET . 94.7 mt -64.66 -41.35 96.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.458 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 67.0 mtm 74.17 -45.61 0.6 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.389 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -63.76 135.72 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.12 -131.31 1.48 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -169.76 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.036 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.76 -149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.272 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.63 40.33 0.03 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.428 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 67.0 mtt -152.53 -143.09 0.13 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.711 0.291 . . . . 0.0 110.708 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.755 HG22 HD11 ' B' ' 93' ' ' LEU . 71.0 m -66.86 -40.7 87.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.406 ' HB2' ' HE3' ' B' ' 92' ' ' LYS . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.755 HD11 HG22 ' B' ' 89' ' ' THR . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.532 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.549 ' O ' HG23 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.88 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.574 HG21 ' CG2' ' A' ' 100' ' ' THR . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.723 HG11 ' HE3' ' A' ' 69' ' ' MET . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.493 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.591 HD21 ' OG1' ' A' ' 100' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.551 ' O ' ' HB1' ' B' ' 109' ' ' ALA . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 108' ' ' THR . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.56 HG23 ' N ' ' B' ' 109' ' ' ALA . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . 0.463 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.779 HG13 HG13 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.579 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 -70.6 -39.36 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -62.96 -79.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.659 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.413 ' HG3' HH11 ' B' ' 117' ' ' ARG . 66.1 mtm-85 -84.06 52.72 2.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.23 62.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.504 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.46 -134.15 2.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.629 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.491 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.844 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.629 ' CE2' ' HB3' ' A' ' 63' ' ' ASP . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.551 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.579 ' HE2' HG12 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD13 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 -71.54 -20.4 62.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.79 67.54 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.205 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.67 40.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.742 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.68 -124.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.344 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 38.44 -145.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.724 0.409 . . . . 0.0 111.54 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.0 t70 178.19 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 122.138 0.97 . . . . 0.0 110.501 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.6 138.03 23.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.696 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' O ' ' HB2' ' A' ' 82' ' ' MET . 0.9 OUTLIER -63.17 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.535 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 82.4 mmm 75.2 -56.8 0.61 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.384 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -66.41 -147.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.34 46.88 84.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.23 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 86' ' ' ASN . 9.9 t0 -170.01 65.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.306 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.449 ' HB3' ' O ' ' A' ' 85' ' ' ASP . 47.9 t30 72.0 132.81 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.847 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.554 ' HA2' ' HG3' ' A' ' 91' ' ' GLU . . . 160.18 86.32 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.828 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.475 ' HB2' ' H ' ' A' ' 89' ' ' THR . 16.1 ptm -56.9 -157.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.0 112.09 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.492 ' O ' HD11 ' A' ' 93' ' ' LEU . 74.2 m -67.76 -50.39 57.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.558 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.782 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.908 HD22 ' HB3' ' B' ' 93' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.58 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.782 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.858 ' HB3' ' HB3' ' B' ' 97' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.591 ' HA ' HD22 ' B' ' 97' ' ' LEU . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.901 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.745 HG23 HD13 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.438 ' OG1' HD12 ' B' ' 66' ' ' LEU . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.901 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.7 ' HA ' HG23 ' A' ' 108' ' ' THR . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.51 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.455 ' HB ' HG13 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.725 HG22 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.725 ' N ' HG22 ' A' ' 108' ' ' THR . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.66 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.852 HD13 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.566 ' CA ' HG12 ' B' ' 114' ' ' VAL . 4.4 pt-20 -58.86 -46.33 88.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -58.19 -63.45 1.26 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.442 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.52 50.3 1.07 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 52.53 -139.82 0.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.079 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.6 96.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.62 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.997 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.633 ' H ' HD22 ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.525 ' HE1' ' HA ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.745 HD13 HG23 ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.443 HH11 ' HG3' ' B' ' 73' ' ' ARG . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.478 ' N ' ' HD1' ' B' ' 74' ' ' PHE . 2.0 m-30 -71.5 -20.19 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 63.37 0.08 OUTLIER Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.945 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . -53.9 -33.21 49.76 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.63 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.88 -127.63 0.01 OUTLIER Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 41.99 -149.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.502 0.321 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.6 t70 179.8 -46.63 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.34 137.8 56.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.138 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' B' ' 82' ' ' MET . 1.8 tm? -63.1 -40.3 97.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.987 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 92.3 mmm 74.51 -54.21 0.67 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.879 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -70.47 -144.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.621 0.248 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.15 55.59 28.63 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.771 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.28 -43.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.264 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.0 t30 177.58 128.99 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.778 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . 0.648 ' HA2' ' HG3' ' B' ' 91' ' ' GLU . . . 168.8 115.28 0.32 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.604 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 22.5 ptm -75.81 -149.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.581 0.229 . . . . 0.0 110.627 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.816 HG22 HD11 ' B' ' 93' ' ' LEU . 45.7 m -74.65 -50.16 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.544 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.639 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.648 ' HG3' ' HA2' ' B' ' 87' ' ' GLY . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.908 ' HB3' HD22 ' A' ' 93' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.651 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.632 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.632 ' CD1' ' HG3' ' B' ' 95' ' ' ARG . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.874 ' HA ' HG21 ' B' ' 100' ' ' THR . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.651 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.874 HG21 ' HA ' ' B' ' 97' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.844 HG11 ' HB3' ' A' ' 66' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.605 HD21 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' B' ' 109' ' ' ALA . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.493 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.624 HG23 HD22 ' A' ' 111' ' ' LEU . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.524 HG22 ' N ' ' B' ' 109' ' ' ALA . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.556 HD12 HG11 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.852 HG21 HD13 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -71.07 -35.85 72.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.16 -55.47 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -153.38 47.4 0.67 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.323 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 115' ' ' GLU . . . 55.08 -142.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.12 -43.78 98.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.587 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.687 ' HB3' HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.68 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.699 ' HE3' HG12 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 100' ' ' THR . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.61 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.8 ' HZ ' HG22 ' A' ' 100' ' ' THR . 10.6 m-30 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.68 50.12 0.03 OUTLIER Glycine 0 CA--C 1.517 0.207 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.046 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 72' ' ' GLN . . . 52.11 -134.66 36.48 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.082 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.45 -139.43 0.11 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.716 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -64.59 -151.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.916 0.388 . . . . 0.0 111.644 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 9.8 t70 -177.86 -59.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.908 0.861 . . . . 0.0 110.313 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.69 137.67 56.86 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.038 -1.437 . . . . 0.0 111.325 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.69 -59.03 2.92 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.896 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.5 mtm -73.25 -38.52 65.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m 66.57 140.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.954 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.36 -143.6 0.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.47 57.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -65.14 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.87 -48.1 0.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.568 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.1 mtm -65.63 149.22 50.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.968 0.413 . . . . 0.0 111.422 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 66.8 m -56.84 -44.25 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.836 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.583 ' O ' ' HD2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.671 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.68 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HG3' HD21 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 70' ' ' LEU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 97' ' ' LEU . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.552 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.923 ' HB3' HD21 ' B' ' 104' ' ' LEU . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.702 ' N ' HD13 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.667 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.546 HG13 HD23 ' B' ' 111' ' ' LEU . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.714 HG23 ' N ' ' A' ' 109' ' ' ALA . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.714 ' N ' HG23 ' A' ' 108' ' ' THR . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.667 ' HD3' ' O ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' A' ' 115' ' ' GLU . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.61 ' HA ' ' O ' ' A' ' 118' ' ' ALA . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 7.4 pt-20 -56.22 -46.28 79.57 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -57.45 -62.88 1.46 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.643 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -147.77 53.71 1.04 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.61 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 53.15 -144.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.674 0.274 . . . . 0.0 111.035 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.15 -134.07 2.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.555 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.817 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.501 HD21 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.612 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.404 ' HE1' ' HB2' ' B' ' 69' ' ' MET . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.68 HD11 HG12 ' A' ' 101' ' ' VAL . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' B' ' 76' ' ' GLY . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 -71.74 -20.56 61.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.49 46.76 0.04 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.077 -1.058 . . . . 0.0 113.43 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' B' ' 72' ' ' GLN . . . 51.82 -133.85 35.78 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.748 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.12 -136.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.377 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -152.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 0.0 111.085 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -176.92 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.432 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.33 130.53 39.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.52 -51.22 17.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 68.0 mtm -71.7 -40.56 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.49 135.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.5 -140.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.796 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -178.01 55.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.371 . . . . 0.0 110.378 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -63.97 -153.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.327 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.29 -47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' B' ' 91' ' ' GLU . 60.1 mtm -63.64 146.06 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.704 HG22 HD13 ' B' ' 93' ' ' LEU . 88.2 m -54.86 -44.21 73.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' B' ' 88' ' ' MET . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.455 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.704 HD13 HG22 ' B' ' 89' ' ' THR . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.658 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.622 ' HB2' HD21 ' A' ' 97' ' ' LEU . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.682 HG23 HG23 ' A' ' 101' ' ' VAL . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.805 HG23 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.923 HD21 ' HB3' ' A' ' 103' ' ' GLU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' B' ' 108' ' ' THR . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.536 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.633 HG22 ' HA ' ' A' ' 108' ' ' THR . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.537 HG21 ' HA ' ' B' ' 105' ' ' ASP . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.523 ' N ' HG23 ' B' ' 108' ' ' THR . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.546 HD23 HG13 ' A' ' 107' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.545 HG12 ' HB ' ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.437 ' HA ' HG11 ' A' ' 114' ' ' VAL . 12.5 pt-20 -68.45 -35.37 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -64.22 -56.08 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.787 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -152.68 50.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.459 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 114' ' ' VAL . . . 56.02 -145.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.333 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.72 -134.4 2.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.966 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.498 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.626 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.602 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.708 ' HE3' HG11 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.729 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.731 ' HZ ' HG23 ' A' ' 100' ' ' THR . 9.5 m-30 -70.71 -20.2 62.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 61.66 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.211 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.53 134.09 52.52 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.82 -50.4 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.537 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.28 -144.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 111.571 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -175.97 -55.37 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.941 0.877 . . . . 0.0 110.334 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.74 HD22 ' H ' ' A' ' 80' ' ' LEU . 1.2 pt? -64.12 138.93 58.69 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.39 133.25 50.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.007 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.06 -43.55 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 58.35 -148.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.83 -132.94 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -166.96 48.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.12 0.486 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 60.82 130.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.742 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 88' ' ' MET . . . -173.02 -81.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.224 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' A' ' 87' ' ' GLY . 22.3 mmt -160.2 173.32 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.374 0.606 . . . . 0.0 111.257 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 66.4 m -89.31 -39.11 13.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.156 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.73 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.789 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' O ' HG22 ' A' ' 100' ' ' THR . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.789 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.771 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.75 HG22 HG21 ' B' ' 100' ' ' THR . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.489 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.771 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 101' ' ' VAL . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.674 ' O ' ' HB1' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.48 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.936 HG22 HG12 ' B' ' 107' ' ' VAL . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.774 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.694 ' N ' HG22 ' A' ' 108' ' ' THR . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG21 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.824 HD13 HG11 ' B' ' 114' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.806 HG13 HG13 ' B' ' 114' ' ' VAL . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.608 ' CA ' HG12 ' B' ' 114' ' ' VAL . 5.1 pt-20 -58.37 -44.5 88.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -60.92 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.377 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 117' ' ' ARG . 60.1 mtt85 -67.13 -51.75 50.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.275 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' B' ' 115' ' ' GLU . . . 59.47 -139.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.632 0.253 . . . . 0.0 110.914 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.86 134.3 40.68 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.982 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.467 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . 0.745 HD13 ' HE2' ' B' ' 69' ' ' MET . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.608 ' CE1' HD12 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' MET . . . . . 0.745 ' HE2' HD13 ' B' ' 66' ' ' LEU . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.82 HD13 ' HD2' ' B' ' 96' ' ' TYR . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.424 ' HA ' ' CA ' ' B' ' 76' ' ' GLY . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 3.8 m-30 -71.36 -20.63 62.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.7 56.05 0.04 OUTLIER Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.945 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.424 ' CA ' ' HA ' ' B' ' 72' ' ' GLN . . . -58.23 133.08 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.595 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.07 -45.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.2 -144.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -176.99 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.948 0.404 . . . . 0.0 110.531 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.754 ' H ' HD22 ' B' ' 80' ' ' LEU . 1.9 pt? -67.33 136.32 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.27 133.14 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.014 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.73 -42.01 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.4 m 58.37 -142.78 0.66 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.01 -130.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -170.05 48.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 64.84 135.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.999 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.77 -110.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.314 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.695 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 61.4 mtt -145.03 148.73 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m -63.04 -34.87 78.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.712 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.695 ' HG2' ' O ' ' B' ' 88' ' ' MET . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.681 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . 0.654 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.888 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' TYR . . . . . 0.82 ' HD2' HD13 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.517 ' HA ' HD21 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . 0.888 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' THR . . . . . 0.75 HG21 HG22 ' A' ' 101' ' ' VAL . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.789 HG13 ' HB3' ' A' ' 66' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 103' ' ' GLU . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.549 ' O ' ' HB1' ' B' ' 109' ' ' ALA . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.936 HG12 HG22 ' A' ' 107' ' ' VAL . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' N ' ' B' ' 109' ' ' ALA . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 111' ' ' LEU . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 -69.6 -36.6 76.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.1 -69.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.621 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ARG . . . . . 0.429 ' HG3' HH11 ' B' ' 117' ' ' ARG . 59.0 mtt85 -70.2 -49.36 50.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.459 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 115' ' ' GLU . . . 60.99 -142.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.198 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.96 135.37 40.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.975 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.762 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.604 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.865 HD11 ' CG1' ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.71 HG22 HD22 ' A' ' 93' ' ' LEU . 85.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.637 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.894 ' HG ' HD23 ' B' ' 97' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.759 ' HA ' HD13 ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.757 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.132 HG22 HD11 ' B' ' 70' ' ' LEU . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.757 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.724 ' N ' HD12 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 103' ' ' GLU . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.8 HD11 HG21 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.604 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.9 pt-20 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.5 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.51 ' HE3' HG12 ' A' ' 101' ' ' VAL . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 1.132 HD11 HG22 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.649 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 4.2 m-30 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.707 ' O ' HD13 ' B' ' 93' ' ' LEU . 86.6 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.766 ' HD2' HD12 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.894 HD23 ' HG ' ' A' ' 93' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.509 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 104' ' ' LEU . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.865 ' CG1' HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.654 ' O ' HG22 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.654 HG22 ' O ' ' B' ' 103' ' ' GLU . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 107' ' ' VAL . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 114' ' ' VAL . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.568 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.704 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.833 ' CE ' HG13 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HG22 ' B' ' 101' ' ' VAL . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.63 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.3 m-30 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' CD1' ' A' ' 93' ' ' LEU . 87.1 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.63 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.572 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 100' ' ' THR . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.813 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.028 HG22 HD11 ' B' ' 70' ' ' LEU . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' B' ' 100' ' ' THR . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 108' ' ' THR . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.65 ' HB3' HH11 ' A' ' 110' ' ' ARG . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.113 HD21 HG21 ' B' ' 114' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 1.077 HG21 HD21 ' B' ' 111' ' ' LEU . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.661 ' HG2' HD23 ' A' ' 111' ' ' LEU . 1.1 pt-20 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.585 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.502 ' HE3' HG12 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 1.028 HD11 HG22 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.676 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.66 ' O ' HD13 ' B' ' 93' ' ' LEU . 91.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.63 0.252 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 90' ' ' GLU . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.465 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.73 ' HD2' HD12 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.857 ' HA ' HD13 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 104' ' ' LEU . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 1.012 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HG22 ' B' ' 108' ' ' THR . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.537 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 1.077 HD21 HG21 ' A' ' 114' ' ' VAL . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 1.113 HG21 HD21 ' A' ' 111' ' ' LEU . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.979 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.629 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 67' ' ' PHE . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.611 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 4.9 m-30 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.594 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.548 0.213 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.688 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 94' ' ' ARG . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.688 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.607 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.61 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.764 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.829 HD21 HG22 ' B' ' 100' ' ' THR . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 102' ' ' THR . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 103' ' ' GLU . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 106' ' ' SER . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.702 HD12 HG21 ' B' ' 114' ' ' VAL . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 110' ' ' ARG . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 2.0 pt-20 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.556 ' O ' ' HE2' ' B' ' 69' ' ' MET . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.872 ' HA ' HD23 ' B' ' 70' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.556 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' B' ' 70' ' ' LEU . 2.0 m-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 88.0 m . . . . . 0 CA--C 1.526 0.057 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.575 ' HA ' HD12 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.868 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.599 ' O ' HG23 ' B' ' 100' ' ' THR . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 97' ' ' LEU . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.829 HG22 HD21 ' A' ' 104' ' ' LEU . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 104' ' ' LEU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.592 ' HB ' HG12 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.775 HG23 HG11 ' A' ' 114' ' ' VAL . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.898 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.796 ' HE1' HG13 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 67' ' ' PHE . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.709 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.715 HG22 HD22 ' A' ' 93' ' ' LEU . 82.0 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HG2' HH12 ' A' ' 95' ' ' ARG . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.694 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.841 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.594 ' NH2' HG21 ' B' ' 89' ' ' THR . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.889 ' O ' HG22 ' A' ' 100' ' ' THR . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' B' ' 97' ' ' LEU . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.604 ' HG3' HD22 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 96' ' ' TYR . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.45 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.852 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.901 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.546 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.853 HG12 HG22 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.741 ' HA ' HG21 ' B' ' 107' ' ' VAL . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 112' ' ' ARG . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.867 HD22 HG23 ' B' ' 107' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.618 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.842 HG21 HD21 ' B' ' 111' ' ' LEU . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.585 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.0 pt-20 . . . . . 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.604 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.852 ' HA ' HD23 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.608 ' O ' HD13 ' B' ' 93' ' ' LEU . 71.0 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.547 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.685 ' O ' HG22 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.866 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.901 ' OG1' HD23 ' A' ' 104' ' ' LEU . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.898 HG22 HD11 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 108' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.652 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.867 HG23 HD22 ' A' ' 111' ' ' LEU . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.842 HD21 HG21 ' A' ' 114' ' ' VAL . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.593 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.651 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.706 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.675 ' CE ' HG13 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.818 HG22 HD22 ' A' ' 93' ' ' LEU . 74.2 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.722 0.296 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.79 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.086 ' HG ' HD12 ' A' ' 97' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.79 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.086 HD12 ' HG ' ' A' ' 93' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.908 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.854 ' CG2' HD11 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 106' ' ' SER . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.908 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.879 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.659 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.534 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.749 HG12 HG22 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.621 HG21 ' HE ' ' B' ' 73' ' ' ARG . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.875 HD11 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.666 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.4 pt-20 . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.454 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.505 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.854 HD11 ' CG2' ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.621 ' HE ' HG21 ' A' ' 108' ' ' THR . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.647 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 2.0 m-30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.819 ' O ' HD13 ' B' ' 93' ' ' LEU . 45.7 m . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.587 0.232 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 1.072 ' HG ' HD12 ' B' ' 97' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.643 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' B' ' 70' ' ' LEU . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.072 HD12 ' HG ' ' B' ' 93' ' ' LEU . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.672 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.879 ' OG1' HD23 ' A' ' 104' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.867 ' CG2' HD11 ' A' ' 70' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.585 HD22 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 107' ' ' VAL . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.641 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.875 HG21 HD11 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.598 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.762 HD23 HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.906 ' HA ' HD12 ' A' ' 70' ' ' LEU . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG13 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.052 HD11 HG22 ' B' ' 101' ' ' VAL . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.62 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 10.6 m-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.769 HG22 HD22 ' A' ' 93' ' ' LEU . 66.8 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.598 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.694 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.621 ' HG3' HD22 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.746 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' B' ' 100' ' ' THR . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.753 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.686 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.868 HG12 HG22 ' B' ' 107' ' ' VAL . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.75 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.771 HD21 HG21 ' B' ' 114' ' ' VAL . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 110' ' ' ARG . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.631 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.4 pt-20 . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.859 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.433 ' HE3' HG12 ' A' ' 101' ' ' VAL . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.688 ' O ' HD13 ' B' ' 93' ' ' LEU . 88.2 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.497 0.189 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' B' ' 94' ' ' ARG . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 100' ' ' THR . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 104' ' ' LEU . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 104' ' ' LEU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 107' ' ' VAL . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' ' 107' ' ' VAL . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.508 ' CD1' HG11 ' A' ' 114' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.809 HG12 HG12 ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.847 ' CE ' HG13 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.964 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.613 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 9.5 m-30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.578 HG22 HD22 ' A' ' 93' ' ' LEU . 66.4 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.205 0.526 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' ARG . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.735 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.806 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.636 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.034 HG22 HD11 ' B' ' 70' ' ' LEU . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.753 ' CD2' HG22 ' B' ' 100' ' ' THR . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 108' ' ' THR . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.663 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.885 HD22 HG23 ' B' ' 107' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.639 ' CA ' HG13 ' B' ' 114' ' ' VAL . 5.1 pt-20 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 73' ' ' ARG . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 1.034 HD11 HG22 ' A' ' 101' ' ' VAL . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.8 m-30 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.686 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ARG . . . . . 0.882 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' TYR . . . . . 0.615 ' HD2' HD12 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.59 ' CA ' HD23 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LYS . . . . . 0.882 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' THR . . . . . 0.753 HG22 ' CD2' ' A' ' 104' ' ' LEU . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' VAL . . . . . 0.964 HG22 HD11 ' A' ' 70' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLU . . . . . 0.546 ' O ' HG12 ' B' ' 107' ' ' VAL . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 108' ' ' THR . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ALA . . . . . 0.652 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 114' ' ' VAL . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' VAL . . . . . 0.792 HG21 HD11 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.762 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.604 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.865 HD11 ' CG1' ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 -70.81 -19.95 62.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.97 59.76 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.065 -1.064 . . . . 0.0 113.582 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.0 139.69 47.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.343 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 140.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.615 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.62 -151.8 0.08 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.882 0.373 . . . . 0.0 111.415 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -152.11 -49.77 0.11 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.872 0.844 . . . . 0.0 110.383 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.85 138.81 58.64 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.2 130.82 48.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -64.74 -40.49 95.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 56.84 -153.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.85 134.6 1.84 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.665 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -169.99 49.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.278 0.561 . . . . 0.0 110.427 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.91 135.98 38.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.858 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.34 68.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.242 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.3 mmt -153.69 -152.98 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.71 HG22 HD22 ' A' ' 93' ' ' LEU . 85.2 m -71.21 -45.54 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.958 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.637 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.894 ' HG ' HD23 ' B' ' 97' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.759 ' HA ' HD13 ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.757 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.132 HG22 HD11 ' B' ' 70' ' ' LEU . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.757 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.724 ' N ' HD12 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 103' ' ' GLU . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.8 HD11 HG21 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.604 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.9 pt-20 -56.47 -42.03 77.55 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -67.85 -77.15 0.08 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.516 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 117' ' ' ARG . 51.1 mtp85 -63.62 -49.18 74.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.264 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . 60.51 -139.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.951 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.46 137.93 2.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.615 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.5 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.51 ' HE3' HG12 ' A' ' 101' ' ' VAL . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 1.132 HD11 HG22 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.649 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 4.2 m-30 -71.49 -20.26 62.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.71 56.91 0.07 OUTLIER Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.021 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.21 139.9 48.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.573 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.74 138.69 0.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -169.38 -151.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.284 . . . . 0.0 110.938 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' B' ' 78' ' ' GLU . 1.9 m-20 -149.41 -47.42 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.475 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.5 137.58 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.2 130.37 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -63.18 -41.08 99.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.6 m 58.06 -147.92 0.5 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.67 137.26 2.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -171.11 42.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.424 . . . . 0.0 110.703 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -69.61 135.44 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.58 -50.02 70.69 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 26.2 mmt -153.06 -149.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.672 0.272 . . . . 0.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.707 ' O ' HD13 ' B' ' 93' ' ' LEU . 86.6 m -76.22 -44.24 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.766 ' HD2' HD12 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.894 HD23 ' HG ' ' A' ' 93' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.509 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 104' ' ' LEU . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.865 ' CG1' HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.654 ' O ' HG22 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.654 HG22 ' O ' ' B' ' 103' ' ' GLU . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 107' ' ' VAL . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 114' ' ' VAL . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 118' ' ' ALA . 12.1 pt-20 -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -69.89 -67.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.605 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' B' ' 117' ' ' ARG . 47.3 mtp85 -67.64 -46.75 71.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.561 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . 62.56 -142.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.93 135.75 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.358 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.568 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.704 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.833 ' CE ' HG13 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HG22 ' B' ' 101' ' ' VAL . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.63 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.3 m-30 -71.62 -19.27 62.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.49 -44.63 11.44 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.368 -0.833 . . . . 0.0 113.325 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.78 126.26 42.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.234 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.16 -49.76 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.671 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 66.7 -72.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.993 0.425 . . . . 0.0 111.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -43.92 -49.01 8.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.827 0.822 . . . . 0.0 111.242 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.76 140.14 56.75 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.371 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' A' ' 82' ' ' MET . 3.1 mm? -70.8 -139.15 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 82' ' ' MET . 2.7 tpt -175.49 -41.25 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.489 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -58.68 144.15 44.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.58 -134.73 1.85 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.38 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.7 53.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.154 0.502 . . . . 0.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 16.0 p-10 -65.22 141.09 58.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.18 -52.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.8 mtt -69.77 148.24 49.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' CD1' ' A' ' 93' ' ' LEU . 87.1 m -55.39 -48.07 74.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HG2' ' HA ' ' A' ' 86' ' ' ASN . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.63 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.572 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 100' ' ' THR . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.813 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.028 HG22 HD11 ' B' ' 70' ' ' LEU . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' B' ' 100' ' ' THR . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 108' ' ' THR . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.65 ' HB3' HH11 ' A' ' 110' ' ' ARG . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.113 HD21 HG21 ' B' ' 114' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 1.077 HG21 HD21 ' B' ' 111' ' ' LEU . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.661 ' HG2' HD23 ' A' ' 111' ' ' LEU . 1.1 pt-20 -71.15 -113.36 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 37.8 t60 52.54 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 99.4 mtt180 67.74 21.87 9.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 48.29 43.79 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.946 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.12 -132.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.439 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.915 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.585 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.502 ' HE3' HG12 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 1.028 HD11 HG22 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.676 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.1 m-30 -71.06 -19.27 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.7 -40.36 32.97 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.843 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.91 127.31 44.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.25 -50.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 70.67 -60.35 0.5 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.685 0.394 . . . . 0.0 111.582 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.38 -44.11 92.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.83 135.91 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.05 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.89 -139.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.093 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.5 ' HA ' ' HE3' ' B' ' 82' ' ' MET . 2.6 tpt -173.75 -42.22 0.01 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -56.13 141.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.98 -133.57 1.62 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -170.52 49.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.702 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.44 ' HA ' ' HG2' ' B' ' 91' ' ' GLU . 15.9 p-10 -63.28 142.75 58.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.07 -50.26 0.03 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 64.5 mtt -69.66 145.83 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.682 0.277 . . . . 0.0 110.901 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.66 ' O ' HD13 ' B' ' 93' ' ' LEU . 91.6 m -53.94 -47.92 70.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 90' ' ' GLU . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' B' ' 86' ' ' ASN . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.465 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.73 ' HD2' HD12 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.857 ' HA ' HD13 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 104' ' ' LEU . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 1.012 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HG22 ' B' ' 108' ' ' THR . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.537 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 1.077 HD21 HG21 ' A' ' 114' ' ' VAL . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 1.113 HG21 HD21 ' A' ' 111' ' ' LEU . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 -74.19 -120.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.407 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 67.1 t60 59.63 103.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.36 . . . . 0.0 110.075 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 59.58 23.94 12.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.886 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.8 43.34 28.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.28 -133.83 2.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.781 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.978 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.979 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.629 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 67' ' ' PHE . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.611 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 4.9 m-30 -71.08 -19.91 62.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.22 74.37 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.967 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 -46.03 2.55 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.576 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.19 47.23 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.226 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 8.5 mp0 56.48 158.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 112.433 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 9.9 t0 175.2 -65.78 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.391 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.64 141.31 55.28 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.867 -1.515 . . . . 0.0 111.365 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.364 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.2 ttm -164.46 -50.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.82 142.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.066 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 138.74 4.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.36 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -150.2 53.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.77 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.33 136.55 57.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.74 -46.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.46 ' CG ' ' HG3' ' A' ' 91' ' ' GLU . 16.2 ptp -174.92 167.08 3.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.338 0.59 . . . . 0.0 111.329 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.594 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m -58.04 -46.03 86.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.425 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 88' ' ' MET . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.688 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 94' ' ' ARG . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.688 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.607 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.61 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.764 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.829 HD21 HG22 ' B' ' 100' ' ' THR . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 102' ' ' THR . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 103' ' ' GLU . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 106' ' ' SER . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.702 HD12 HG21 ' B' ' 114' ' ' VAL . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 110' ' ' ARG . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 2.0 pt-20 -67.55 -107.31 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 61.4 t60 53.75 23.65 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.658 0.742 . . . . 0.0 109.818 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 16.8 ptm180 177.2 -27.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.986 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.67 -135.61 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.017 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -179.33 -46.69 0.08 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.596 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.815 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.556 ' O ' ' HE2' ' B' ' 69' ' ' MET . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.872 ' HA ' HD23 ' B' ' 70' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.556 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' B' ' 70' ' ' LEU . 2.0 m-30 -70.8 -20.0 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.35 -43.23 97.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.272 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.74 -47.1 2.99 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.764 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.28 40.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.625 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 62.77 140.86 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.035 0.445 . . . . 0.0 111.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.58 -52.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.977 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 80' ' ' LEU . 2.9 mm? -69.25 138.77 54.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.878 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.501 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.1 mm? -61.2 -39.12 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.514 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 32.2 ttp -170.13 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.764 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m 62.62 143.93 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 111.831 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.36 126.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.428 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -134.16 51.64 2.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.711 0.291 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.85 137.45 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.83 -48.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.832 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.497 ' CG ' ' HG3' ' B' ' 91' ' ' GLU . 20.7 ptp -175.21 157.1 2.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 88.0 m -51.53 -43.54 62.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.844 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.575 ' HA ' HD12 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' B' ' 88' ' ' MET . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.868 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.599 ' O ' HG23 ' B' ' 100' ' ' THR . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 97' ' ' LEU . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.829 HG22 HD21 ' A' ' 104' ' ' LEU . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 104' ' ' LEU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.592 ' HB ' HG12 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.775 HG23 HG11 ' A' ' 114' ' ' VAL . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 -75.18 -118.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' HIS . . . . . 0.472 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 75.6 t60 57.9 27.21 14.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.401 0.619 . . . . 0.0 109.955 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 115' ' ' GLU . 16.1 ptm180 177.14 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.885 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.4 -139.45 0.51 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.46 -43.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.821 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.898 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.796 ' HE1' HG13 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 67' ' ' PHE . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.848 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 7.7 tp-100 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.709 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 -70.56 -14.94 62.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.88 -28.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.833 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.848 ' HA2' ' HA ' ' A' ' 72' ' ' GLN . . . 64.59 43.33 96.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.31 133.98 1.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.304 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 52.1 mt-10 -54.56 155.12 4.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.28 0.562 . . . . 0.0 111.553 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 9.6 t70 174.08 -68.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.275 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 49.3 mt 64.83 140.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.728 -1.578 . . . . 0.0 111.782 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' MET . 95.9 mt -66.82 -43.91 82.52 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.621 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 67.3 mtm 75.38 -45.01 0.54 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.295 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -65.01 141.92 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.77 -140.69 5.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.44 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -172.9 46.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.349 0.595 . . . . 0.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -149.18 -153.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.259 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 170.72 42.18 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.765 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.435 ' HB3' ' H ' ' A' ' 89' ' ' THR . 64.6 mtt -152.66 -150.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.715 HG22 HD22 ' A' ' 93' ' ' LEU . 82.0 m -60.94 -43.57 98.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HG2' HH12 ' A' ' 95' ' ' ARG . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.694 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.841 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.594 ' NH2' HG21 ' B' ' 89' ' ' THR . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.889 ' O ' HG22 ' A' ' 100' ' ' THR . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' B' ' 97' ' ' LEU . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.604 ' HG3' HD22 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 96' ' ' TYR . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.45 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.852 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.901 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.546 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.853 HG12 HG22 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.741 ' HA ' HG21 ' B' ' 107' ' ' VAL . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 112' ' ' ARG . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.867 HD22 HG23 ' B' ' 107' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.618 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.842 HG21 HD21 ' B' ' 111' ' ' LEU . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' ' HB1' ' B' ' 118' ' ' ALA . 7.0 pt-20 -57.64 -45.58 85.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.43 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.669 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 117' ' ' ARG . 65.2 mtm-85 -81.57 51.92 1.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.976 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . -50.24 -44.49 53.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.5 -135.46 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.62 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.816 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.604 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.852 ' HA ' HD23 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.781 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 -70.53 -19.04 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.44 -35.39 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.048 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.781 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . 70.14 42.85 66.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.128 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.85 134.98 2.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.9 140.91 56.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -172.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.406 HD22 ' N ' ' B' ' 80' ' ' LEU . 3.3 mm? 60.53 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 111.588 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 82' ' ' MET . 94.7 mt -64.66 -41.35 96.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.458 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 67.0 mtm 74.17 -45.61 0.6 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.389 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -63.76 135.72 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.12 -131.31 1.48 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -169.76 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.036 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.76 -149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.272 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.63 40.33 0.03 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.428 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB3' ' H ' ' B' ' 89' ' ' THR . 67.0 mtt -152.53 -143.09 0.13 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.711 0.291 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.608 ' O ' HD13 ' B' ' 93' ' ' LEU . 71.0 m -66.86 -40.7 87.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.547 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.685 ' O ' HG22 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.866 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.901 ' OG1' HD23 ' A' ' 104' ' ' LEU . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.898 HG22 HD11 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 108' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.652 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.867 HG23 HD22 ' A' ' 111' ' ' LEU . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.842 HD21 HG21 ' A' ' 114' ' ' VAL . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.593 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 -70.6 -39.36 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -62.96 -79.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.659 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' B' ' 117' ' ' ARG . 66.1 mtm-85 -84.06 52.72 2.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 115' ' ' GLU . . . -51.3 -47.23 62.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.504 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.46 -134.15 2.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.651 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.706 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.675 ' CE ' HG13 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 -71.54 -20.4 62.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.79 67.54 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.205 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.67 40.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.742 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.68 -124.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.344 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' HB2' ' H ' ' A' ' 79' ' ' ASP . 13.1 pt-20 38.44 -145.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.724 0.409 . . . . 0.0 111.54 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 35.0 t70 178.19 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 122.138 0.97 . . . . 0.0 110.501 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.6 138.03 23.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.696 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 82' ' ' MET . 0.9 OUTLIER -63.17 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.531 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 82.4 mmm 75.2 -56.8 0.61 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.384 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -66.41 -147.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.34 46.88 84.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.23 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 86' ' ' ASN . 9.9 t0 -170.01 65.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.306 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' ASP . 47.9 t30 72.0 132.81 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.847 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.576 ' HA2' ' HG3' ' A' ' 91' ' ' GLU . . . 160.18 86.32 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.828 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ptm -56.9 -157.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.0 112.09 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.818 HG22 HD22 ' A' ' 93' ' ' LEU . 74.2 m -67.76 -50.39 57.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.576 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.79 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.086 ' HG ' HD12 ' A' ' 97' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.79 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.086 HD12 ' HG ' ' A' ' 93' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.908 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.854 ' CG2' HD11 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 106' ' ' SER . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.908 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.879 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.659 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.534 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.749 HG12 HG22 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.621 HG21 ' HE ' ' B' ' 73' ' ' ARG . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.875 HD11 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.666 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.4 pt-20 -58.86 -46.33 88.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -58.19 -63.45 1.26 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.442 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.52 50.3 1.07 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 52.53 -139.82 0.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.079 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.6 96.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.62 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.997 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.454 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.505 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.854 HD11 ' CG2' ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.621 ' HE ' HG21 ' A' ' 108' ' ' THR . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.647 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 2.0 m-30 -71.5 -20.19 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 63.37 0.08 OUTLIER Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.945 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . -53.9 -33.21 49.76 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.63 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.88 -127.63 0.01 OUTLIER Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 41.99 -149.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.502 0.321 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.6 t70 179.8 -46.63 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.587 ' H ' HD22 ' B' ' 80' ' ' LEU . 2.9 mm? -58.34 137.8 56.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.138 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD13 ' O ' ' B' ' 81' ' ' LEU . 1.8 tm? -63.1 -40.3 97.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.987 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 92.3 mmm 74.51 -54.21 0.67 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.879 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -70.47 -144.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.621 0.248 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.15 55.59 28.63 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.771 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.28 -43.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.264 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.0 t30 177.58 128.99 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.778 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLY . . . . . 0.676 ' HA2' ' HG3' ' B' ' 91' ' ' GLU . . . 168.8 115.28 0.32 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.604 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 22.5 ptm -75.81 -149.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.581 0.229 . . . . 0.0 110.627 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.819 ' O ' HD13 ' B' ' 93' ' ' LEU . 45.7 m -74.65 -50.16 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.544 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.676 ' HG3' ' HA2' ' B' ' 87' ' ' GLY . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 1.072 ' HG ' HD12 ' B' ' 97' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.643 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' B' ' 70' ' ' LEU . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.072 HD12 ' HG ' ' B' ' 93' ' ' LEU . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.672 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.879 ' OG1' HD23 ' A' ' 104' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.867 ' CG2' HD11 ' A' ' 70' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.585 HD22 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 107' ' ' VAL . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.641 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.875 HG21 HD11 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -71.07 -35.85 72.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -64.16 -55.47 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -153.38 47.4 0.67 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.323 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 115' ' ' GLU . . . 55.08 -142.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.12 -43.78 98.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.598 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.762 HD23 HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.906 ' HA ' HD12 ' A' ' 70' ' ' LEU . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG13 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.052 HD11 HG22 ' B' ' 101' ' ' VAL . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.62 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 10.6 m-30 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.68 50.12 0.03 OUTLIER Glycine 0 CA--C 1.517 0.207 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.046 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' GLN . . . 52.11 -134.66 36.48 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.082 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.45 -139.43 0.11 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.716 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.59 -151.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.916 0.388 . . . . 0.0 111.644 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -177.86 -59.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.908 0.861 . . . . 0.0 110.313 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.69 137.67 56.86 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.038 -1.437 . . . . 0.0 111.325 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -74.69 -59.03 2.92 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.896 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.5 mtm -73.25 -38.52 65.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m 66.57 140.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.954 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.36 -143.6 0.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.47 57.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -65.14 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.87 -48.1 0.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.568 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.1 mtm -65.63 149.22 50.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.968 0.413 . . . . 0.0 111.422 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.769 HG22 HD22 ' A' ' 93' ' ' LEU . 66.8 m -56.84 -44.25 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.836 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.598 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.694 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.621 ' HG3' HD22 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.746 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' B' ' 100' ' ' THR . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.753 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.686 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.868 HG12 HG22 ' B' ' 107' ' ' VAL . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.75 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.771 HD21 HG21 ' B' ' 114' ' ' VAL . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 110' ' ' ARG . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.631 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.4 pt-20 -56.22 -46.28 79.57 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -57.45 -62.88 1.46 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.643 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -147.77 53.71 1.04 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 53.15 -144.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.674 0.274 . . . . 0.0 111.035 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.15 -134.07 2.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.555 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.817 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.859 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.433 ' HE3' HG12 ' A' ' 101' ' ' VAL . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' B' ' 76' ' ' GLY . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 -71.74 -20.56 61.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.49 46.76 0.04 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.077 -1.058 . . . . 0.0 113.43 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' GLN . . . 51.82 -133.85 35.78 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.748 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.12 -136.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.377 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.446 ' HB2' ' H ' ' B' ' 79' ' ' ASP . 0.4 OUTLIER -68.87 -152.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 0.0 111.085 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' B' ' 78' ' ' GLU . 8.5 t70 -176.92 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.432 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.33 130.53 39.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.495 HD12 ' N ' ' B' ' 81' ' ' LEU . 5.9 mp -73.52 -51.22 17.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 68.0 mtm -71.7 -40.56 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.49 135.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.5 -140.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.796 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -178.01 55.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.371 . . . . 0.0 110.378 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -63.97 -153.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.327 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.29 -47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' B' ' 91' ' ' GLU . 60.1 mtm -63.64 146.06 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.688 ' O ' HD13 ' B' ' 93' ' ' LEU . 88.2 m -54.86 -44.21 73.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' B' ' 88' ' ' MET . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 100' ' ' THR . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 104' ' ' LEU . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 104' ' ' LEU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 107' ' ' VAL . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' ' 107' ' ' VAL . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.508 ' CD1' HG11 ' A' ' 114' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.809 HG12 HG12 ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.45 -35.37 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -64.22 -56.08 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.787 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -152.68 50.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.459 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 115' ' ' GLU . . . 56.02 -145.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.333 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.72 -134.4 2.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.966 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.847 ' CE ' HG13 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.964 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.613 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 9.5 m-30 -70.71 -20.2 62.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 61.66 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.211 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.53 134.09 52.52 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.82 -50.4 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.537 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.28 -144.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 111.571 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -175.97 -55.37 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.941 0.877 . . . . 0.0 110.334 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.907 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.2 pt? -64.12 138.93 58.69 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.39 133.25 50.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.007 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.06 -43.55 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 58.35 -148.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.83 -132.94 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -166.96 48.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.12 0.486 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 60.82 130.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.742 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' MET . . . -173.02 -81.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.224 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 87' ' ' GLY . 22.3 mmt -160.2 173.32 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.374 0.606 . . . . 0.0 111.257 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.578 HG22 HD22 ' A' ' 93' ' ' LEU . 66.4 m -89.31 -39.11 13.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.156 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' ARG . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.735 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.806 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.636 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.034 HG22 HD11 ' B' ' 70' ' ' LEU . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.753 ' CD2' HG22 ' B' ' 100' ' ' THR . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 108' ' ' THR . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.663 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.885 HD22 HG23 ' B' ' 107' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.639 ' CA ' HG13 ' B' ' 114' ' ' VAL . 5.1 pt-20 -58.37 -44.5 88.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -60.92 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.377 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 117' ' ' ARG . 60.1 mtt85 -67.13 -51.75 50.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.275 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . 59.47 -139.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.632 0.253 . . . . 0.0 110.914 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.86 134.3 40.68 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.982 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 73' ' ' ARG . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 1.034 HD11 HG22 ' A' ' 101' ' ' VAL . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' B' ' 76' ' ' GLY . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.8 m-30 -71.36 -20.63 62.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.7 56.05 0.04 OUTLIER Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.945 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' B' ' 72' ' ' GLN . . . -58.23 133.08 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.595 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.07 -45.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 79' ' ' ASP . 51.6 mt-10 -68.2 -144.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' B' ' 78' ' ' GLU . 38.0 t70 -176.99 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.948 0.404 . . . . 0.0 110.531 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.822 ' H ' HD23 ' B' ' 80' ' ' LEU . 1.9 pt? -67.33 136.32 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.27 133.14 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.014 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.73 -42.01 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.4 m 58.37 -142.78 0.66 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.01 -130.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -170.05 48.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 64.84 135.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.999 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.77 -110.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.314 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.701 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 61.4 mtt -145.03 148.73 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m -63.04 -34.87 78.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.712 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' B' ' 88' ' ' MET . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.686 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.882 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' TYR . . . . . 0.615 ' HD2' HD12 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.59 ' CA ' HD23 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LYS . . . . . 0.882 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' THR . . . . . 0.753 HG22 ' CD2' ' A' ' 104' ' ' LEU . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.964 HG22 HD11 ' A' ' 70' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.546 ' O ' HG12 ' B' ' 107' ' ' VAL . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 108' ' ' THR . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ALA . . . . . 0.652 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 114' ' ' VAL . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' VAL . . . . . 0.792 HG21 HD11 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 -69.6 -36.6 76.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.1 -69.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.621 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' B' ' 117' ' ' ARG . 59.0 mtt85 -70.2 -49.36 50.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.459 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . 60.99 -142.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.198 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.96 135.37 40.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.975 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.762 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.604 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.865 HD11 ' CG1' ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.71 HG22 HD22 ' A' ' 93' ' ' LEU . 85.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.983 0.42 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.637 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.894 ' HG ' HD23 ' B' ' 97' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.759 ' HA ' HD13 ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.757 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.132 HG22 HD11 ' B' ' 70' ' ' LEU . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.757 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.724 ' N ' HD12 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 103' ' ' GLU . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.8 HD11 HG21 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.604 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.9 pt-20 . . . . . 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.5 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.51 ' HE3' HG12 ' A' ' 101' ' ' VAL . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 1.132 HD11 HG22 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.649 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 4.2 m-30 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.707 ' O ' HD13 ' B' ' 93' ' ' LEU . 86.6 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.738 0.304 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.766 ' HD2' HD12 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.894 HD23 ' HG ' ' A' ' 93' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.509 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 104' ' ' LEU . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.865 ' CG1' HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.654 ' O ' HG22 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.654 HG22 ' O ' ' B' ' 103' ' ' GLU . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 107' ' ' VAL . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 114' ' ' VAL . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.568 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.704 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.833 ' CE ' HG13 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HG22 ' B' ' 101' ' ' VAL . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.63 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.3 m-30 . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' CD1' ' A' ' 93' ' ' LEU . 87.1 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.63 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.572 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 100' ' ' THR . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.813 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.028 HG22 HD11 ' B' ' 70' ' ' LEU . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' B' ' 100' ' ' THR . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 108' ' ' THR . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.65 ' HB3' HH11 ' A' ' 110' ' ' ARG . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.113 HD21 HG21 ' B' ' 114' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 1.077 HG21 HD21 ' B' ' 111' ' ' LEU . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.661 ' HG2' HD23 ' A' ' 111' ' ' LEU . 1.1 pt-20 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.585 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.502 ' HE3' HG12 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 1.028 HD11 HG22 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.676 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.66 ' O ' HD13 ' B' ' 93' ' ' LEU . 91.6 m . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.63 0.252 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 90' ' ' GLU . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.465 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.73 ' HD2' HD12 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.857 ' HA ' HD13 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 104' ' ' LEU . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 1.012 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HG22 ' B' ' 108' ' ' THR . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.537 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 1.077 HD21 HG21 ' A' ' 114' ' ' VAL . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 1.113 HG21 HD21 ' A' ' 111' ' ' LEU . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.979 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.629 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 67' ' ' PHE . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.611 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 4.9 m-30 . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.594 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.548 0.213 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.688 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 94' ' ' ARG . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.688 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.607 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.61 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.764 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.829 HD21 HG22 ' B' ' 100' ' ' THR . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 102' ' ' THR . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 103' ' ' GLU . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 106' ' ' SER . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.702 HD12 HG21 ' B' ' 114' ' ' VAL . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 110' ' ' ARG . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 2.0 pt-20 . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.556 ' O ' ' HE2' ' B' ' 69' ' ' MET . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.872 ' HA ' HD23 ' B' ' 70' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.556 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' B' ' 70' ' ' LEU . 2.0 m-30 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 88.0 m . . . . . 0 CA--C 1.526 0.057 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.575 ' HA ' HD12 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.868 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.599 ' O ' HG23 ' B' ' 100' ' ' THR . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 97' ' ' LEU . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.829 HG22 HD21 ' A' ' 104' ' ' LEU . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 104' ' ' LEU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.592 ' HB ' HG12 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.775 HG23 HG11 ' A' ' 114' ' ' VAL . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.898 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.796 ' HE1' HG13 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 67' ' ' PHE . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.709 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 . . . . . 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.715 HG22 HD22 ' A' ' 93' ' ' LEU . 82.0 m . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HG2' HH12 ' A' ' 95' ' ' ARG . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.694 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.841 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.594 ' NH2' HG21 ' B' ' 89' ' ' THR . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.889 ' O ' HG22 ' A' ' 100' ' ' THR . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' B' ' 97' ' ' LEU . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.604 ' HG3' HD22 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 96' ' ' TYR . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.45 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.852 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.901 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.546 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.853 HG12 HG22 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.741 ' HA ' HG21 ' B' ' 107' ' ' VAL . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 112' ' ' ARG . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.867 HD22 HG23 ' B' ' 107' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.618 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.842 HG21 HD21 ' B' ' 111' ' ' LEU . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.585 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.0 pt-20 . . . . . 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.604 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.852 ' HA ' HD23 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.608 ' O ' HD13 ' B' ' 93' ' ' LEU . 71.0 m . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.547 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.685 ' O ' HG22 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.866 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.901 ' OG1' HD23 ' A' ' 104' ' ' LEU . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.898 HG22 HD11 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 108' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.652 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.867 HG23 HD22 ' A' ' 111' ' ' LEU . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.842 HD21 HG21 ' A' ' 114' ' ' VAL . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.593 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.651 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.706 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.675 ' CE ' HG13 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.818 HG22 HD22 ' A' ' 93' ' ' LEU . 74.2 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.722 0.296 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.79 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.086 ' HG ' HD12 ' A' ' 97' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.79 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.086 HD12 ' HG ' ' A' ' 93' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.908 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.854 ' CG2' HD11 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 106' ' ' SER . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.908 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.879 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.659 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.534 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.749 HG12 HG22 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.621 HG21 ' HE ' ' B' ' 73' ' ' ARG . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.875 HD11 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.666 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.4 pt-20 . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.454 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.505 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.854 HD11 ' CG2' ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.621 ' HE ' HG21 ' A' ' 108' ' ' THR . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.647 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 2.0 m-30 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.819 ' O ' HD13 ' B' ' 93' ' ' LEU . 45.7 m . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.587 0.232 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 1.072 ' HG ' HD12 ' B' ' 97' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.643 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' B' ' 70' ' ' LEU . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.072 HD12 ' HG ' ' B' ' 93' ' ' LEU . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.672 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.879 ' OG1' HD23 ' A' ' 104' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.867 ' CG2' HD11 ' A' ' 70' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.585 HD22 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 107' ' ' VAL . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.641 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.875 HG21 HD11 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.598 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.762 HD23 HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.906 ' HA ' HD12 ' A' ' 70' ' ' LEU . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG13 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.052 HD11 HG22 ' B' ' 101' ' ' VAL . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.62 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 10.6 m-30 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.769 HG22 HD22 ' A' ' 93' ' ' LEU . 66.8 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.598 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.694 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.621 ' HG3' HD22 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.746 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' B' ' 100' ' ' THR . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.753 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.686 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.868 HG12 HG22 ' B' ' 107' ' ' VAL . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.75 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.771 HD21 HG21 ' B' ' 114' ' ' VAL . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 110' ' ' ARG . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.631 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.4 pt-20 . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.859 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.433 ' HE3' HG12 ' A' ' 101' ' ' VAL . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.688 ' O ' HD13 ' B' ' 93' ' ' LEU . 88.2 m . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.497 0.189 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' B' ' 94' ' ' ARG . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 100' ' ' THR . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 104' ' ' LEU . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 104' ' ' LEU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 107' ' ' VAL . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' ' 107' ' ' VAL . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.508 ' CD1' HG11 ' A' ' 114' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.809 HG12 HG12 ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.847 ' CE ' HG13 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.964 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.613 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 9.5 m-30 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.578 HG22 HD22 ' A' ' 93' ' ' LEU . 66.4 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.205 0.526 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' ARG . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.735 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.806 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.636 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.034 HG22 HD11 ' B' ' 70' ' ' LEU . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.753 ' CD2' HG22 ' B' ' 100' ' ' THR . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 108' ' ' THR . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.663 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.885 HD22 HG23 ' B' ' 107' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.639 ' CA ' HG13 ' B' ' 114' ' ' VAL . 5.1 pt-20 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 73' ' ' ARG . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 1.034 HD11 HG22 ' A' ' 101' ' ' VAL . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.8 m-30 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.686 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ARG . . . . . 0.882 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' TYR . . . . . 0.615 ' HD2' HD12 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.59 ' CA ' HD23 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . 0.882 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' THR . . . . . 0.753 HG22 ' CD2' ' A' ' 104' ' ' LEU . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' VAL . . . . . 0.964 HG22 HD11 ' A' ' 70' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLU . . . . . 0.546 ' O ' HG12 ' B' ' 107' ' ' VAL . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 108' ' ' THR . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ALA . . . . . 0.652 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 114' ' ' VAL . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' VAL . . . . . 0.792 HG21 HD11 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -60.66 145.39 49.36 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 59.4 m-20 -70.67 -34.38 71.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.301 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.73 -35.63 70.95 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.15 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.45 -36.65 69.27 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.156 0.503 . . . . 0.0 109.957 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 66' ' ' LEU . 2.7 mm? -79.05 -42.86 25.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.264 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.762 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.1 m-85 -70.11 -18.94 63.26 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.182 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.1 t -67.27 -52.3 42.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.828 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.604 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.6 ptt? -55.31 -35.99 65.71 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.865 HD11 ' CG1' ' B' ' 101' ' ' VAL . 38.1 mt -68.2 -33.53 74.6 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.194 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 68' ' ' SER . 66.1 t0 -59.99 -39.69 86.58 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.617 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -80.2 -34.27 37.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.437 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' A' ' 73' ' ' ARG . 68.7 mtt-85 -77.37 -40.52 43.55 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.27 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.4 m-30 -70.81 -19.95 62.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.208 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.97 59.76 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.182 0 C-N-CA 120.065 -1.064 . . . . 0.0 113.582 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.0 139.69 47.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.343 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.15 140.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.615 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -170.62 -151.8 0.08 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.882 0.373 . . . . 0.0 111.415 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -152.11 -49.77 0.11 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.872 0.844 . . . . 0.0 110.383 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.85 138.81 58.64 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.5 tp -60.2 130.82 48.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.138 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -64.74 -40.49 95.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 56.84 -153.13 0.37 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 172.85 134.6 1.84 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.665 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -169.99 49.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.278 0.561 . . . . 0.0 110.427 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.91 135.98 38.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.858 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.86 -50.34 68.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.242 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.3 mmt -153.69 -152.98 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.71 HG22 HD22 ' A' ' 93' ' ' LEU . 85.2 m -71.21 -45.54 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.958 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 46.3 mt-10 -47.49 -56.38 7.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.424 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -37.73 -54.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.204 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.637 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.7 ttmm -65.3 -51.84 58.05 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.894 ' HG ' HD23 ' B' ' 97' ' ' LEU . 6.6 mp -58.08 -18.19 23.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.887 -1.051 . . . . 0.0 112.469 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 73.9 mtt-85 -71.16 -45.1 64.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.719 0.295 . . . . 0.0 111.416 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.9 ptp180 -84.83 -51.89 6.43 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 96.5 m-85 -57.83 -45.58 85.98 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.759 ' HA ' HD13 ' B' ' 97' ' ' LEU . 0.5 OUTLIER -68.47 -63.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.864 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -45.97 -38.07 7.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.838 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 23.1 tpt180 -74.97 -59.81 2.57 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.1 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.757 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 57.2 p -51.25 -25.49 5.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.132 HG22 HD11 ' B' ' 70' ' ' LEU . 45.6 t -66.41 -52.36 47.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.209 0.528 . . . . 0.0 110.761 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 23.8 m -73.96 -28.87 61.7 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.757 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 48.9 mm-40 -64.33 -44.8 90.4 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.663 -1.153 . . . . 0.0 109.061 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.724 HD12 ' N ' ' A' ' 105' ' ' ASP . 3.4 pp -76.4 -32.25 58.42 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.548 -1.206 . . . . 0.0 108.238 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.724 ' N ' HD12 ' A' ' 104' ' ' LEU . 59.0 t0 -73.24 -13.77 61.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.702 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.0 t -89.52 -59.91 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.433 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 103' ' ' GLU . 16.6 t -56.07 -44.15 77.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.902 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.3 t -62.3 -33.01 73.82 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.491 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -72.31 -38.91 68.59 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.987 -177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.76 -28.76 20.28 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.888 0.375 . . . . 0.0 111.651 -179.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.8 HD11 HG21 ' B' ' 114' ' ' VAL . 48.8 tp -53.57 -37.8 63.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.465 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 12.7 ptp180 -60.59 -31.94 71.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.195 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -91.87 -32.04 15.46 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-O 121.297 0.57 . . . . 0.0 110.434 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 57.5 t -57.66 -45.13 86.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.075 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.604 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.9 pt-20 -56.47 -42.03 77.55 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-O 122.695 1.236 . . . . 0.0 109.897 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -67.85 -77.15 0.08 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.516 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 117' ' ' ARG . 51.1 mtp85 -63.62 -49.18 74.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.264 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . 60.51 -139.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.951 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.46 137.93 2.99 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.615 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.892 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.318 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.0 m -60.03 134.7 57.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.5 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.7 m-20 -60.86 -36.82 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.07 -35.54 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.78 -48.21 80.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.807 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.54 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.6 mm? -66.92 -44.74 79.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.21 0.529 . . . . 0.0 110.239 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.583 ' HB3' ' CE2' ' B' ' 96' ' ' TYR . 19.9 m-30 -62.26 -30.35 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.991 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.9 t -57.8 -41.63 82.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.062 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.51 ' HE3' HG12 ' A' ' 101' ' ' VAL . 56.8 mtm -56.45 -34.81 67.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.621 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 1.132 HD11 HG22 ' A' ' 101' ' ' VAL . 59.2 mt -75.57 -36.27 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.227 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.32 -41.44 62.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.372 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -78.65 -41.68 30.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 73' ' ' ARG . 67.3 mtt-85 -72.18 -43.6 64.31 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.649 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 4.2 m-30 -71.49 -20.26 62.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.828 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.71 56.91 0.07 OUTLIER Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.246 -0.978 . . . . 0.0 113.021 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.21 139.9 48.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.573 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.74 138.69 0.16 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -169.38 -151.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.695 0.284 . . . . 0.0 110.938 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' B' ' 78' ' ' GLU . 1.9 m-20 -149.41 -47.42 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.475 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.5 137.58 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.2 130.37 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -63.18 -41.08 99.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.6 m 58.06 -147.92 0.5 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.67 137.26 2.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.422 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -171.11 42.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.424 . . . . 0.0 110.703 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -69.61 135.44 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.58 -50.02 70.69 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 26.2 mmt -153.06 -149.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.672 0.272 . . . . 0.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.707 ' O ' HD13 ' B' ' 93' ' ' LEU . 86.6 m -76.22 -44.24 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.835 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 47.5 mt-10 -54.31 -48.79 70.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -41.94 -51.18 4.45 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.436 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 23.6 ttmm -71.66 -41.22 69.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.189 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.842 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.0 mp -66.54 -15.41 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.725 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 71.3 mtt-85 -73.31 -54.72 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.9 ptp180 -75.52 -49.03 19.95 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.766 ' HD2' HD12 ' B' ' 70' ' ' LEU . 55.7 m-85 -61.3 -45.28 95.12 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.894 HD23 ' HG ' ' A' ' 93' ' ' LEU . 5.3 tp -70.1 -52.33 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.52 -36.03 63.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.447 . . . . 0.0 109.942 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.509 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 25.0 tpt180 -77.8 -42.01 35.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 104' ' ' LEU . 8.8 p -57.18 -49.8 74.83 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.865 ' CG1' HD11 ' A' ' 70' ' ' LEU . 6.3 m -58.95 -34.7 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.703 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.0 m -73.11 -45.99 53.88 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.796 0.332 . . . . 0.0 110.397 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.654 ' O ' HG22 ' B' ' 107' ' ' VAL . 57.8 mm-40 -63.59 -41.38 98.34 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.783 0.801 . . . . 0.0 109.066 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.569 HD23 ' C ' ' A' ' 103' ' ' GLU . 2.8 tm? -63.61 -39.21 93.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.591 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -75.33 -29.64 60.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.069 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.3 t -69.33 -56.61 7.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.238 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.654 HG22 ' O ' ' B' ' 103' ' ' GLU . 1.6 m -53.37 -47.97 57.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.275 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 107' ' ' VAL . 11.9 t -65.64 -36.47 83.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.139 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -62.34 -44.64 96.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.416 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' B' ' 110' ' ' ARG . 0.2 OUTLIER -83.47 -29.47 27.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.331 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 114' ' ' VAL . 39.0 tp -54.36 -40.77 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.847 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.1 ptp180 -57.1 -38.71 73.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 0.0 110.791 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.75 -38.55 23.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.346 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.8 HG21 HD11 ' A' ' 111' ' ' LEU . 1.7 t -50.79 -43.16 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.769 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 118' ' ' ALA . 12.1 pt-20 -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.361 . . . . 0.0 110.725 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -69.89 -67.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.605 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' B' ' 117' ' ' ARG . 47.3 mtp85 -67.64 -46.75 71.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.561 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . 62.56 -142.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.126 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.93 135.75 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.358 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.94 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.11 0.481 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.1 p -63.78 144.22 57.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.08 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.2 m-20 -69.24 -34.25 74.51 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' SER . 1.2 m-20 -60.62 -35.89 77.26 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.291 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.45 -37.49 70.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.132 0.492 . . . . 0.0 110.166 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.568 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.7 mm? -79.47 -40.74 29.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.266 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.704 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.8 m-85 -70.69 -20.51 62.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.86 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.63 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 38.2 t -66.35 -52.61 45.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.021 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.833 ' CE ' HG13 ' B' ' 101' ' ' VAL . 3.0 ptt? -56.62 -37.24 70.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.012 HD11 HG22 ' B' ' 101' ' ' VAL . 54.5 mt -65.72 -33.0 74.86 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.63 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.41 -39.81 88.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.655 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -78.33 -37.85 43.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.986 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' A' ' 73' ' ' ARG . 71.0 mtt-85 -71.17 -43.62 67.1 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.377 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 8.3 m-30 -71.62 -19.27 62.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.064 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -45.49 -44.63 11.44 Favored Glycine 0 C--N 1.33 0.235 0 CA-C-N 115.368 -0.833 . . . . 0.0 113.325 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.78 126.26 42.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.234 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.16 -49.76 0.17 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.671 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 66.7 -72.31 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.993 0.425 . . . . 0.0 111.463 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -43.92 -49.01 8.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.827 0.822 . . . . 0.0 111.242 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.76 140.14 56.75 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 114.22 -1.354 . . . . 0.0 111.371 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' A' ' 82' ' ' MET . 3.1 mm? -70.8 -139.15 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 82' ' ' MET . 2.7 tpt -175.49 -41.25 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.489 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.5 p -58.68 144.15 44.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.58 -134.73 1.85 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.38 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.7 53.1 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.154 0.502 . . . . 0.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.513 ' HA ' ' HG2' ' A' ' 91' ' ' GLU . 16.0 p-10 -65.22 141.09 58.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.18 -52.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 47.8 mtt -69.77 148.24 49.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.657 0.265 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' CD1' ' A' ' 93' ' ' LEU . 87.1 m -55.39 -48.07 74.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.347 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 94' ' ' ARG . 36.6 mt-10 -51.87 -50.15 61.53 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.958 178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.513 ' HG2' ' HA ' ' A' ' 86' ' ' ASN . 16.5 tp10 -45.77 -51.01 13.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.398 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.63 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 19.6 ttmm -65.06 -54.45 29.94 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 37.0 mt -55.7 -22.35 22.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.204 -1.362 . . . . 0.0 112.047 179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 90' ' ' GLU . 79.7 ttt180 -75.04 -47.11 30.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.704 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.572 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 12.2 ptp180 -79.74 -57.06 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 100' ' ' THR . 96.2 m-85 -52.37 -42.93 64.39 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 122.627 0.371 . . . . 0.0 111.931 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.857 HD13 ' HA ' ' B' ' 97' ' ' LEU . 7.4 tp -72.78 -60.09 2.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.562 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -45.98 -36.94 5.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.273 0.558 . . . . 0.0 110.015 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.4 mmt180 -75.42 -64.03 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.592 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.813 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 58.4 p -49.93 -24.19 2.39 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.028 HG22 HD11 ' B' ' 70' ' ' LEU . 49.1 t -67.61 -49.55 69.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.269 0.557 . . . . 0.0 110.641 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 20.5 m -77.21 -31.45 55.26 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.813 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 67.0 mm-40 -61.32 -43.31 99.09 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.738 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' B' ' 100' ' ' THR . 2.7 pp -76.42 -34.95 58.78 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.722 -1.126 . . . . 0.0 108.353 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 55.2 t0 -69.81 -15.5 63.12 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.767 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.545 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 46.0 t -89.07 -62.07 1.56 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.937 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 108' ' ' THR . 30.0 m -54.07 -42.21 54.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.932 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.698 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.6 t -62.21 -33.45 74.58 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.051 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.65 ' HB3' HH11 ' A' ' 110' ' ' ARG . . . -75.04 -36.07 61.89 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 113.65 -1.614 . . . . 0.0 112.537 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.792 ' O ' HG23 ' A' ' 114' ' ' VAL . 9.9 mpt_? -84.88 -30.98 23.98 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.113 HD21 HG21 ' B' ' 114' ' ' VAL . 5.3 tt -60.15 -43.87 95.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.474 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 13.1 ptp180 -52.74 -30.44 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.469 -179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -87.44 -31.26 20.13 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 1.077 HG21 HD21 ' B' ' 111' ' ' LEU . 21.6 t -59.77 -48.67 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.661 ' HG2' HD23 ' A' ' 111' ' ' LEU . 1.1 pt-20 -71.15 -113.36 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.756 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 37.8 t60 52.54 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' HIS . 99.4 mtt180 67.74 21.87 9.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 48.29 43.79 19.36 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.946 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.12 -132.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.439 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.915 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.6 p -57.61 135.37 56.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 59.6 m-20 -59.88 -36.61 77.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.79 -37.07 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.261 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.09 -49.34 76.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.534 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.7 mm? -66.63 -44.13 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 110.221 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.585 ' HE1' ' HG ' ' A' ' 97' ' ' LEU . 22.8 m-30 -60.97 -31.57 71.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 73.5 m -57.28 -41.86 80.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.11 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.502 ' HE3' HG12 ' A' ' 101' ' ' VAL . 52.0 mtm -55.12 -35.6 64.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.255 0.55 . . . . 0.0 109.692 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 1.028 HD11 HG22 ' A' ' 101' ' ' VAL . 47.6 mt -76.7 -37.96 55.21 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.208 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -49.46 -40.86 38.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.312 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -78.04 -48.44 16.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.782 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -63.46 -48.64 76.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.286 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.676 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.1 m-30 -71.06 -19.27 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.648 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -49.7 -40.36 32.97 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.843 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.91 127.31 44.98 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.448 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 172.25 -50.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 70.67 -60.35 0.5 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.685 0.394 . . . . 0.0 111.582 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.38 -44.11 92.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.749 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.83 135.91 57.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.05 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.89 -139.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.093 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.5 ' HA ' ' HE3' ' B' ' 82' ' ' MET . 2.6 tpt -173.75 -42.22 0.01 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 0.0 110.968 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 79.8 p -56.13 141.24 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.98 -133.57 1.62 Allowed Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -170.52 49.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.037 0.446 . . . . 0.0 110.702 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.44 ' HA ' ' HG2' ' B' ' 91' ' ' GLU . 15.9 p-10 -63.28 142.75 58.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.07 -50.26 0.03 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 64.5 mtt -69.66 145.83 52.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.682 0.277 . . . . 0.0 110.901 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.66 ' O ' HD13 ' B' ' 93' ' ' LEU . 91.6 m -53.94 -47.92 70.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.419 ' CG ' ' HG3' ' A' ' 90' ' ' GLU . 51.3 mt-10 -58.18 -41.64 84.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.168 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' B' ' 86' ' ' ASN . 38.8 tp10 -54.62 -51.67 64.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.465 ' HD3' ' HD2' ' B' ' 67' ' ' PHE . 23.8 ttmm -68.05 -44.89 75.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.142 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.939 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 11.3 mp -67.17 -15.85 63.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.334 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -78.14 -54.84 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.889 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 13.7 ptp180 -72.42 -52.46 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.73 ' HD2' HD12 ' B' ' 70' ' ' LEU . 54.2 m-85 -58.17 -44.04 87.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.857 ' HA ' HD13 ' A' ' 97' ' ' LEU . 7.5 tp -71.52 -46.73 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.652 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -55.59 -36.94 67.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 37.3 mmt180 -74.5 -51.14 15.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.129 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.724 HG22 ' CD2' ' A' ' 104' ' ' LEU . 33.8 p -52.79 -48.95 66.51 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 111.38 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 1.012 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.44 -31.99 19.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.086 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -87.94 -45.81 9.91 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.715 0.293 . . . . 0.0 110.999 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 99' ' ' ARG . 5.0 mm-40 -58.01 -49.0 78.35 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.305 0.574 . . . . 0.0 109.746 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.453 ' O ' HG22 ' B' ' 108' ' ' THR . 13.7 tp -53.83 -47.69 70.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.566 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -28.53 68.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.359 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.537 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.7 t -69.17 -65.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.536 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 108' ' ' THR . 0.2 OUTLIER -55.14 -43.74 71.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.453 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.5 t -60.82 -34.94 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.4 . . . . 0.0 110.101 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.603 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -67.84 -39.03 83.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.999 179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 106' ' ' SER . 10.3 mpt_? -81.02 -27.79 35.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 1.077 HD21 HG21 ' A' ' 114' ' ' VAL . 1.3 tt -61.32 -45.4 94.58 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 15.3 ptp180 -54.48 -41.22 69.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.71 0.291 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -70.93 -42.01 70.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 1.113 HG21 HD21 ' A' ' 111' ' ' LEU . 19.1 t -54.78 -46.85 74.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.273 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 20.1 pt-20 -74.19 -120.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.407 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 67.1 t60 59.63 103.64 0.02 OUTLIER 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.855 0.36 . . . . 0.0 110.075 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 59.58 23.94 12.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.886 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.8 43.34 28.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.314 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.28 -133.83 2.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.781 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.978 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.755 0.312 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -60.76 145.75 48.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.581 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 34.0 m-20 -75.47 -31.94 60.43 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.306 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -54.71 -40.19 68.97 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.238 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.95 -33.89 65.18 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 121.302 0.572 . . . . 0.0 109.943 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.555 ' O ' ' HG3' ' A' ' 69' ' ' MET . 6.0 mp -75.92 -45.64 34.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.411 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.979 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.1 m-85 -71.7 -17.87 62.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.462 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.611 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 45.9 t -70.59 -50.11 40.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.824 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.629 ' CE ' ' HB ' ' B' ' 101' ' ' VAL . 2.5 ptt? -54.88 -37.21 65.99 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 67' ' ' PHE . 21.1 mt -65.03 -33.67 76.61 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.109 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.611 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.3 t70 -59.63 -37.71 79.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.866 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.01 -40.52 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.313 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.611 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -71.2 -42.53 68.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.426 0.631 . . . . 0.0 110.709 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 4.9 m-30 -71.08 -19.91 62.41 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.881 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.81 -48.22 74.37 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.967 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.77 -46.03 2.55 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.576 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.19 47.23 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.226 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 8.5 mp0 56.48 158.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 112.433 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.449 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 9.9 t0 175.2 -65.78 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.391 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.64 141.31 55.28 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.867 -1.515 . . . . 0.0 111.365 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -66.39 -41.49 89.29 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.364 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.2 ttm -164.46 -50.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.82 142.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.066 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 138.74 4.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.36 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -150.2 53.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.77 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.33 136.55 57.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.74 -46.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.252 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.46 ' CG ' ' HG3' ' A' ' 91' ' ' GLU . 16.2 ptp -174.92 167.08 3.62 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.338 0.59 . . . . 0.0 111.329 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.594 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 51.4 m -58.04 -46.03 86.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.425 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' B' ' 90' ' ' GLU . 50.8 mt-10 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 88' ' ' MET . 96.4 mt-10 -40.92 -44.92 2.43 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.395 0.617 . . . . 0.0 110.94 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.688 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 15.8 ttpt -68.06 -50.86 52.54 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.487 178.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' B' ' 93' ' ' LEU . 24.6 mt -57.6 -22.75 47.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.076 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 94' ' ' ARG . 53.1 ttt-85 -75.53 -48.01 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.748 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 14.6 ptm180 -80.43 -55.84 4.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.688 ' CE1' ' HG3' ' A' ' 92' ' ' LYS . 88.3 m-85 -52.83 -37.27 59.83 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.607 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.9 tm? -71.24 -62.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.466 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.4 pttp -52.81 -31.53 39.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 52.8 mtt-85 -76.09 -53.14 8.77 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.483 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.764 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 46.6 p -60.45 -33.43 72.54 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.747 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 m -64.46 -47.94 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-O 121.41 0.624 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.61 ' N ' HG23 ' A' ' 101' ' ' VAL . 41.8 m -71.73 -33.42 68.7 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.764 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 26.8 mm-40 -61.05 -42.79 99.14 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.118 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.829 HD21 HG22 ' B' ' 100' ' ' THR . 4.0 pp -77.74 -31.99 52.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.521 ' HB3' ' HA ' ' A' ' 102' ' ' THR . 60.1 t0 -70.66 -15.27 62.71 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.325 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.2 t -90.33 -60.68 1.86 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.974 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 103' ' ' GLU . 20.1 t -56.71 -43.45 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.118 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.564 ' HB ' ' O ' ' A' ' 104' ' ' LEU . 1.4 t -60.35 -33.23 72.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 122.129 0.966 . . . . 0.0 110.288 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 106' ' ' SER . . . -71.18 -40.86 70.97 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 113.491 -1.686 . . . . 0.0 112.953 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -84.98 -31.97 23.25 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.702 HD12 HG21 ' B' ' 114' ' ' VAL . 11.7 tp -61.62 -38.93 89.45 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.324 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -62.31 -29.07 70.18 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.069 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -91.94 -32.96 15.07 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.046 0.45 . . . . 0.0 110.296 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 110' ' ' ARG . 90.4 t -55.44 -57.02 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.501 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 111' ' ' LEU . 2.0 pt-20 -67.55 -107.31 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 61.4 t60 53.75 23.65 3.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.658 0.742 . . . . 0.0 109.818 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 115' ' ' GLU . 16.8 ptm180 177.2 -27.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.986 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.67 -135.61 0.79 Allowed 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.017 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -179.33 -46.69 0.08 OUTLIER Glycine 0 C--N 1.333 0.409 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.596 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.815 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -60.14 133.38 56.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.4 m-20 -64.08 -36.71 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -50.54 -40.87 53.06 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.7 -42.48 79.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.262 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.556 ' O ' ' HE2' ' B' ' 69' ' ' MET . 20.5 mt -66.61 -49.21 67.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.872 ' HA ' HD23 ' B' ' 70' ' ' LEU . 56.3 m-85 -59.02 -32.25 69.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.976 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 47.1 t -56.47 -40.17 74.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.556 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 53.5 mtm -55.36 -43.28 74.91 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.326 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.6 mm? -66.34 -35.76 81.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -52.68 -37.96 59.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.921 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -78.42 -52.12 9.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.896 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -62.69 -46.41 88.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.974 0.416 . . . . 0.0 111.587 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' B' ' 70' ' ' LEU . 2.0 m-30 -70.8 -20.0 62.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.657 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.35 -43.23 97.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.272 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.74 -47.1 2.99 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.764 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.28 40.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.625 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 62.77 140.86 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.035 0.445 . . . . 0.0 111.481 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -171.58 -52.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.977 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.452 HD22 ' N ' ' B' ' 80' ' ' LEU . 2.9 mm? -69.25 138.77 54.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.878 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.501 HD22 ' N ' ' B' ' 81' ' ' LEU . 3.1 mm? -61.2 -39.12 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.514 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 32.2 ttp -170.13 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.764 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m 62.62 143.93 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 111.831 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -174.36 126.12 1.17 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.428 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -134.16 51.64 2.11 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.711 0.291 . . . . 0.0 110.935 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -59.85 137.45 58.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.83 -48.88 0.06 OUTLIER Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.832 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.497 ' CG ' ' HG3' ' B' ' 91' ' ' GLU . 20.7 ptp -175.21 157.1 2.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 88.0 m -51.53 -43.54 62.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.844 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.575 ' HA ' HD12 ' B' ' 93' ' ' LEU . 48.4 mt-10 -54.48 -41.29 69.38 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.602 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.497 ' HG3' ' CG ' ' B' ' 88' ' ' MET . 98.0 mt-10 -51.52 -49.31 62.17 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.65 0.262 . . . . 0.0 110.484 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -68.41 -40.07 81.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.382 0.61 . . . . 0.0 109.389 178.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.895 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . 95.6 mt -60.1 -26.74 66.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.962 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 94' ' ' ARG . 51.9 ttt-85 -78.39 -56.13 4.68 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.868 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 16.4 ptm180 -72.23 -53.06 13.67 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.599 ' O ' HG23 ' B' ' 100' ' ' THR . 63.8 m-85 -58.86 -41.15 86.36 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.598 HD13 ' C ' ' B' ' 97' ' ' LEU . 3.3 tm? -64.24 -55.13 23.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.537 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.868 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.24 -37.53 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.151 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' B' ' 103' ' ' GLU . 74.3 mtt-85 -70.16 -40.0 75.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.046 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.829 HG22 HD21 ' A' ' 104' ' ' LEU . 22.7 p -68.43 -56.9 6.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 70' ' ' LEU . 23.5 m -51.85 -38.08 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 120.535 -0.466 . . . . 0.0 109.837 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -75.32 -36.54 61.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' B' ' 99' ' ' ARG . 10.7 tp10 -58.58 -38.12 77.24 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.3 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 104' ' ' LEU . 63.8 mt -63.48 -52.77 59.95 Favored 'General case' 0 CA--C 1.51 -0.565 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -50.78 -31.61 17.41 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.951 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.589 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 44.8 t -73.61 -61.32 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.187 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.592 ' HB ' HG12 ' A' ' 107' ' ' VAL . 2.5 m -56.68 -47.32 82.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 104' ' ' LEU . 14.9 t -62.68 -39.28 93.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.504 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -61.68 -45.57 93.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 111.314 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.589 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -78.49 -32.42 48.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.139 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' B' ' 115' ' ' GLU . 37.4 tp -61.19 -49.15 78.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.303 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.0 ptt180 -56.62 -34.18 66.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.016 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.41 -45.72 18.94 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.775 HG23 HG11 ' A' ' 114' ' ' VAL . 16.4 m -54.27 -45.48 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.687 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' B' ' 111' ' ' LEU . 9.5 pt-20 -75.18 -118.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.472 ' H ' ' HG3' ' B' ' 115' ' ' GLU . 75.6 t60 57.9 27.21 14.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.401 0.619 . . . . 0.0 109.955 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' B' ' 115' ' ' GLU . 16.1 ptm180 177.14 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.885 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.4 -139.45 0.51 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -178.46 -43.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.821 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 145.93 48.67 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 1.5 m-20 -71.39 -34.96 70.85 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.314 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.73 -36.81 72.54 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -56.32 -36.11 68.33 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.23 0.538 . . . . 0.0 110.132 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 101' ' ' VAL . 6.8 mp -79.77 -41.71 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.218 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.898 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.6 m-85 -69.16 -21.14 64.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.095 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.612 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 39.6 t -68.82 -52.46 29.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.131 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.796 ' HE1' HG13 ' B' ' 101' ' ' VAL . 3.5 ptt? -54.8 -38.1 66.89 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 67' ' ' PHE . 39.7 mt -63.55 -35.89 81.99 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.055 178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.612 ' HB3' ' O ' ' A' ' 68' ' ' SER . 8.7 t70 -58.79 -34.65 71.72 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.992 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.848 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 57.8 tp60 -78.62 -38.36 40.01 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.696 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -79.2 -38.36 35.98 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.261 0.553 . . . . 0.0 111.749 -179.168 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.709 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 13.3 m-30 -70.56 -14.94 62.7 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.9 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -176.88 -28.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.833 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.848 ' HA2' ' HA ' ' A' ' 72' ' ' GLN . . . 64.59 43.33 96.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.31 133.98 1.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.304 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 79' ' ' ASP . 52.1 mt-10 -54.56 155.12 4.26 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.28 0.562 . . . . 0.0 111.553 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 9.6 t70 174.08 -68.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.275 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 49.3 mt 64.83 140.93 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 113.728 -1.578 . . . . 0.0 111.782 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 82' ' ' MET . 95.9 mt -66.82 -43.91 82.52 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.621 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 67.3 mtm 75.38 -45.01 0.54 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.295 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -65.01 141.92 58.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 111.195 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.77 -140.69 5.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.44 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -172.9 46.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.349 0.595 . . . . 0.0 110.648 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -149.18 -153.44 0.49 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.259 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 170.72 42.18 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.765 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.435 ' HB3' ' H ' ' A' ' 89' ' ' THR . 64.6 mtt -152.66 -150.7 0.35 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.955 0.407 . . . . 0.0 111.077 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.715 HG22 HD22 ' A' ' 93' ' ' LEU . 82.0 m -60.94 -43.57 98.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.952 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 50.8 mt-10 -45.59 -54.95 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.388 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HG2' HH12 ' A' ' 95' ' ' ARG . 89.0 tt0 -40.62 -56.8 2.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.154 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.694 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 25.4 ttmt -63.05 -51.36 67.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.841 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.46 -16.86 26.62 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.816 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.594 ' NH2' HG21 ' B' ' 89' ' ' THR . 23.2 tpp180 -73.21 -48.63 33.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.255 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 99' ' ' ARG . 3.1 ptp85 -82.68 -56.41 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.889 ' O ' HG22 ' A' ' 100' ' ' THR . 94.1 m-85 -51.83 -53.08 44.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' B' ' 97' ' ' LEU . 6.6 tp -59.47 -59.17 5.88 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.674 -0.411 . . . . 0.0 112.074 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.604 ' HG3' HD22 ' B' ' 66' ' ' LEU . 61.0 tttm -52.29 -36.71 53.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.991 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 95' ' ' ARG . 35.0 mmt180 -73.49 -59.55 2.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 96' ' ' TYR . 2.1 t -61.67 -20.19 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.3 t -68.53 -50.4 56.56 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.519 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.45 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 34.1 m -74.65 -35.16 62.85 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.852 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 3.6 mm-40 -59.88 -40.27 88.15 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.992 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.901 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.0 OUTLIER -75.38 -36.6 60.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.546 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.9 t70 -68.21 -13.83 62.53 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.44 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 110' ' ' ARG . 38.5 m -90.38 -57.51 2.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.557 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.853 HG12 HG22 ' B' ' 107' ' ' VAL . 46.2 t -57.95 -43.55 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.974 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.741 ' HA ' HG21 ' B' ' 107' ' ' VAL . 2.3 t -61.54 -35.38 77.59 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.199 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 112' ' ' ARG . . . -71.58 -34.57 70.05 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.192 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.822 ' O ' HG23 ' A' ' 114' ' ' VAL . 6.9 mmt180 -88.84 -30.8 18.67 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.867 HD22 HG23 ' B' ' 107' ' ' VAL . 33.7 tp -51.06 -39.27 55.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.304 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HG3' ' HG3' ' A' ' 113' ' ' GLU . 12.8 ptm180 -62.13 -35.1 77.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.894 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.618 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 86.7 mt-10 -91.07 -29.99 17.01 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-O 121.524 0.678 . . . . 0.0 110.705 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.842 HG21 HD21 ' B' ' 111' ' ' LEU . 87.7 t -58.5 -47.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.988 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.696 ' O ' ' HB1' ' B' ' 118' ' ' ALA . 7.0 pt-20 -57.64 -45.58 85.26 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 122.603 1.192 . . . . 0.0 109.479 178.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.404 ' HD2' HH11 ' A' ' 117' ' ' ARG . 49.7 t60 -59.43 -86.34 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 117' ' ' ARG . 65.2 mtm-85 -81.57 51.92 1.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.976 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . -50.24 -44.49 53.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.5 -135.46 2.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.62 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.816 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.698 0.285 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.1 m -60.3 134.59 57.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.492 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 1.6 m-20 -60.82 -36.8 80.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.655 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.44 -38.96 69.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -55.13 -49.27 72.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.848 0.356 . . . . 0.0 110.633 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.604 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.7 mp -67.77 -45.38 75.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.041 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.852 ' HA ' HD23 ' B' ' 70' ' ' LEU . 21.5 m-30 -56.36 -30.47 62.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.924 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 67.3 m -60.94 -39.11 88.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.07 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.518 ' O ' ' HD3' ' B' ' 73' ' ' ARG . 59.6 mtm -55.48 -44.19 76.27 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.086 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.852 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -67.27 -39.47 86.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.845 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.88 -33.52 24.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.28 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.781 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 70.2 tp60 -80.78 -50.64 9.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' B' ' 69' ' ' MET . 0.2 OUTLIER -69.6 -39.12 77.45 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.7 m-30 -70.53 -19.04 62.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.44 -35.39 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.287 -0.958 . . . . 0.0 113.048 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.781 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . 70.14 42.85 66.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.128 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.85 134.98 2.23 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -59.9 140.91 56.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 0.0 111.085 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -172.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.406 HD22 ' N ' ' B' ' 80' ' ' LEU . 3.3 mm? 60.53 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.146 0.498 . . . . 0.0 111.588 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 82' ' ' MET . 94.7 mt -64.66 -41.35 96.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.458 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 67.0 mtm 74.17 -45.61 0.6 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.389 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -63.76 135.72 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.12 -131.31 1.48 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.552 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -169.76 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.036 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.76 -149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.272 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.63 40.33 0.03 OUTLIER Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.428 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.419 ' HB3' ' H ' ' B' ' 89' ' ' THR . 67.0 mtt -152.53 -143.09 0.13 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.711 0.291 . . . . 0.0 110.708 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.608 ' O ' HD13 ' B' ' 93' ' ' LEU . 71.0 m -66.86 -40.7 87.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.069 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' B' ' 94' ' ' ARG . 45.0 mt-10 -53.85 -39.8 65.96 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.162 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -54.33 -50.61 67.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -65.36 -43.8 89.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.824 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.784 HD23 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mp -71.54 -15.29 62.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.755 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' B' ' 90' ' ' GLU . 22.6 tpp180 -71.74 -55.78 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.547 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 3.7 ptp85 -78.88 -51.18 10.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.685 ' O ' HG22 ' B' ' 100' ' ' THR . 45.2 m-85 -57.31 -45.12 84.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.866 ' HA ' HD13 ' A' ' 97' ' ' LEU . 8.5 tp -68.24 -49.35 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.92 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -57.56 -37.23 72.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.042 0.449 . . . . 0.0 110.187 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 37.6 mmt180 -74.52 -50.73 17.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.758 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.901 ' OG1' HD23 ' A' ' 104' ' ' LEU . 5.3 t -60.44 -37.04 79.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.646 0.26 . . . . 0.0 111.228 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.898 HG22 HD11 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -60.8 -41.56 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.578 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 89.8 m -77.32 -46.36 23.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.771 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.505 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.2 mm-40 -57.21 -41.81 80.13 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.879 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.454 ' O ' HG22 ' B' ' 108' ' ' THR . 23.9 tp -60.19 -48.02 83.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.558 178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.67 -29.46 70.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.489 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.652 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 62.6 m -72.3 -60.25 2.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.466 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.867 HG23 HD22 ' A' ' 111' ' ' LEU . 9.5 p -57.51 -40.88 77.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.273 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.454 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.3 t -65.36 -37.78 88.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.078 0.466 . . . . 0.0 109.937 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -65.24 -38.16 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.778 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 106' ' ' SER . 21.2 mmt180 -78.02 -27.22 48.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.842 HD21 HG21 ' A' ' 114' ' ' VAL . 1.0 OUTLIER -51.71 -47.85 63.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.94 -179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 16.2 ptm180 -55.24 -42.28 73.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.396 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.501 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 92.3 mt-10 -79.02 -36.63 40.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.697 HG12 HG12 ' A' ' 114' ' ' VAL . 1.2 t -54.57 -45.36 71.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.469 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.593 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 24.3 pt-20 -70.6 -39.36 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.942 0.401 . . . . 0.0 110.35 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . 0.401 ' HD2' ' HG3' ' B' ' 117' ' ' ARG . 79.8 t60 -62.96 -79.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.659 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.42 ' HG3' HH11 ' B' ' 117' ' ' ARG . 66.1 mtm-85 -84.06 52.72 2.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.751 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.696 ' HB1' ' O ' ' A' ' 115' ' ' GLU . . . -51.3 -47.23 62.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.504 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.46 -134.15 2.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.392 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.852 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.665 0.269 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -60.41 145.57 47.63 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.651 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 58.1 m-20 -73.4 -31.81 64.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.195 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' A' ' 68' ' ' SER . 56.0 t0 -58.28 -35.0 71.14 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.991 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.77 -29.0 52.97 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.194 0.521 . . . . 0.0 110.451 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.706 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.5 mm? -90.49 -41.21 11.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.198 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.6 m-85 -72.67 -32.77 66.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.815 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.569 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.0 t -58.9 -49.34 78.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.984 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.675 ' CE ' HG13 ' B' ' 101' ' ' VAL . 0.2 OUTLIER -57.87 -34.06 69.35 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.867 HD11 ' CG2' ' B' ' 101' ' ' VAL . 58.0 mt -69.52 -32.64 71.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.247 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 68' ' ' SER . 37.5 t70 -58.59 -39.72 81.17 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.82 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -78.75 -35.74 44.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.388 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' HG3' HH11 ' A' ' 73' ' ' ARG . 59.4 mtt85 -76.89 -41.98 41.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.365 0.603 . . . . 0.0 111.078 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 6.2 m-30 -71.54 -20.4 62.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.718 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.79 67.54 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.205 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.67 40.51 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.742 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.68 -124.72 0.01 OUTLIER Glycine 0 CA--C 1.519 0.307 0 C-N-CA 121.324 -0.465 . . . . 0.0 113.344 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' HB2' ' H ' ' A' ' 79' ' ' ASP . 13.1 pt-20 38.44 -145.18 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.724 0.409 . . . . 0.0 111.54 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 78' ' ' GLU . 35.0 t70 178.19 -57.0 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 122.138 0.97 . . . . 0.0 110.501 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 39.9 mt -51.6 138.03 23.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.696 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 82' ' ' MET . 0.9 OUTLIER -63.17 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.531 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 82.4 mmm 75.2 -56.8 0.61 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.384 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -66.41 -147.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.34 46.88 84.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.23 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 86' ' ' ASN . 9.9 t0 -170.01 65.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.778 0.323 . . . . 0.0 110.306 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 85' ' ' ASP . 47.9 t30 72.0 132.81 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.847 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.576 ' HA2' ' HG3' ' A' ' 91' ' ' GLU . . . 160.18 86.32 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.828 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ptm -56.9 -157.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.0 112.09 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.818 HG22 HD22 ' A' ' 93' ' ' LEU . 74.2 m -67.76 -50.39 57.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' OE2' ' HB ' ' B' ' 89' ' ' THR . 54.3 mt-10 -52.08 -58.03 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.576 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 4.8 mm-40 -41.48 -48.0 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.965 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.79 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 3.9 tppt? -69.34 -49.83 52.02 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.739 0.781 . . . . 0.0 109.347 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.086 ' HG ' HD12 ' A' ' 97' ' ' LEU . 4.7 mp -55.98 -19.1 11.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.151 -1.386 . . . . 0.0 111.925 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.6 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 99.6 mtt180 -78.52 -43.38 26.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 111.74 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.529 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 15.6 ptm180 -86.69 -35.36 19.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.79 ' CD2' ' HG3' ' A' ' 92' ' ' LYS . 77.5 m-85 -85.87 -62.07 1.61 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.086 HD12 ' HG ' ' A' ' 93' ' ' LEU . 20.5 mt -72.02 -52.02 18.97 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 39.7 ttpt -50.71 -29.43 11.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 33.1 mmt180 -83.35 -46.39 12.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.145 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.908 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 4.1 t -60.66 -17.59 48.52 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.744 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.854 ' CG2' HD11 ' B' ' 70' ' ' LEU . 8.1 t -68.3 -49.63 64.91 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 CA-C-O 121.222 0.534 . . . . 0.0 110.043 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 106' ' ' SER . 42.7 m -73.44 -33.18 64.78 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 177.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.908 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 4.5 mm-40 -61.17 -39.87 91.78 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.025 178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.879 HD23 ' OG1' ' B' ' 100' ' ' THR . 1.1 pp -75.11 -35.19 61.75 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.659 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 60.2 t0 -69.61 -13.1 62.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.781 -1.1 . . . . 0.0 109.188 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.534 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 38.4 m -89.68 -56.89 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.538 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.749 HG12 HG22 ' B' ' 107' ' ' VAL . 40.8 t -58.47 -44.01 88.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.621 HG21 ' HE ' ' B' ' 73' ' ' ARG . 1.4 t -63.02 -33.37 75.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 114.458 -1.246 . . . . 0.0 110.71 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -68.2 -39.14 82.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.888 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -89.54 -30.08 18.47 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.12 0.486 . . . . 0.0 111.163 -179.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.875 HD11 HG21 ' B' ' 114' ' ' VAL . 51.2 tp -50.41 -34.86 25.97 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.535 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 33.4 ptt180 -62.86 -33.92 76.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.462 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -91.43 -31.98 15.8 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.358 0.599 . . . . 0.0 110.354 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 110' ' ' ARG . 42.8 t -56.77 -43.6 79.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.069 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.666 ' CA ' HG13 ' B' ' 114' ' ' VAL . 4.4 pt-20 -58.86 -46.33 88.02 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 122.559 1.171 . . . . 0.0 110.391 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t60 -58.19 -63.45 1.26 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.442 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.52 50.3 1.07 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 52.53 -139.82 0.97 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.079 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.6 96.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.62 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.997 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 52.3 m -60.76 134.71 57.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.454 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 56.4 m-20 -62.98 -35.49 80.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.812 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -53.69 -34.6 59.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.86 -42.67 80.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 0.0 110.79 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.573 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.4 mm? -75.8 -47.44 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' B' ' 63' ' ' ASP . 22.1 m-85 -61.49 -36.4 80.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.417 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.9 t -56.26 -41.73 76.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.505 ' HE2' ' O ' ' B' ' 66' ' ' LEU . 37.3 mtm -55.3 -39.54 70.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.601 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.854 HD11 ' CG2' ' A' ' 101' ' ' VAL . 43.4 mt -72.29 -34.43 68.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.249 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -51.3 -41.77 60.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.738 0.304 . . . . 0.0 111.322 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.474 ' HA ' ' HA2' ' B' ' 76' ' ' GLY . 84.6 mt-30 -77.44 -43.75 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.621 ' HE ' HG21 ' A' ' 108' ' ' THR . 60.7 mtt85 -70.53 -46.23 64.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.005 0.431 . . . . 0.0 111.705 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.647 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 2.0 m-30 -71.5 -20.19 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.519 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -179.34 63.37 0.08 OUTLIER Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.945 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' B' ' 72' ' ' GLN . . . -53.9 -33.21 49.76 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.63 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.88 -127.63 0.01 OUTLIER Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 41.99 -149.58 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 122.502 0.321 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.6 t70 179.8 -46.63 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.587 ' H ' HD22 ' B' ' 80' ' ' LEU . 2.9 mm? -58.34 137.8 56.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.91 0.385 . . . . 0.0 111.138 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.575 HD13 ' O ' ' B' ' 81' ' ' LEU . 1.8 tm? -63.1 -40.3 97.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.987 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' B' ' 81' ' ' LEU . 92.3 mmm 74.51 -54.21 0.67 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.879 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 51.5 m -70.47 -144.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.621 0.248 . . . . 0.0 110.766 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.15 55.59 28.63 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.771 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.28 -43.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.264 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.0 t30 177.58 128.99 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.778 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . 0.676 ' HA2' ' HG3' ' B' ' 91' ' ' GLU . . . 168.8 115.28 0.32 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.604 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 22.5 ptm -75.81 -149.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.581 0.229 . . . . 0.0 110.627 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.819 ' O ' HD13 ' B' ' 93' ' ' LEU . 45.7 m -74.65 -50.16 18.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.544 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.663 ' HA ' ' HB2' ' B' ' 93' ' ' LEU . 31.4 mt-10 -56.56 -45.95 80.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.404 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.676 ' HG3' ' HA2' ' B' ' 87' ' ' GLY . 4.9 mm-40 -48.72 -50.05 35.31 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.904 0.383 . . . . 0.0 110.627 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -69.24 -37.07 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.704 . . . . 0.0 109.109 178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 1.072 ' HG ' HD12 ' B' ' 97' ' ' LEU . 3.5 mp -63.12 -24.77 68.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.721 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.672 ' O ' ' HB3' ' B' ' 98' ' ' LYS . 99.6 mtt180 -77.53 -44.08 29.85 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.643 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 15.4 ptm180 -84.82 -42.79 14.79 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.679 ' HB3' HD12 ' B' ' 70' ' ' LEU . 91.0 m-85 -87.75 -54.51 4.22 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.072 HD12 ' HG ' ' B' ' 93' ' ' LEU . 9.4 mt -72.76 -41.28 65.24 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.672 ' HB3' ' O ' ' B' ' 94' ' ' ARG . 39.1 ttpt -63.45 -31.76 73.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.497 -0.752 . . . . 0.0 109.949 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -77.58 -43.63 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.174 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.879 ' OG1' HD23 ' A' ' 104' ' ' LEU . 3.2 t -52.34 -33.0 40.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.867 ' CG2' HD11 ' A' ' 70' ' ' LEU . 1.2 t -61.87 -41.27 90.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.194 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 90.9 m -76.77 -41.96 42.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 109.976 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.1 mm-40 -58.08 -42.47 85.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.844 179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.585 HD22 ' OG1' ' A' ' 100' ' ' THR . 20.2 tp -60.74 -46.12 91.65 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.513 178.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -64.46 -31.22 72.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.228 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 57.0 m -70.17 -57.78 4.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.578 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.749 HG22 HG12 ' A' ' 107' ' ' VAL . 8.9 p -58.06 -40.66 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.151 -179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.4 t -69.73 -35.14 74.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 110.438 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.641 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -60.36 -42.11 95.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' B' ' 106' ' ' SER . 1.0 OUTLIER -83.04 -30.78 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.026 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 114' ' ' VAL . 48.8 tp -53.37 -37.52 62.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.916 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 39.8 ptt180 -57.63 -41.72 81.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.77 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -81.94 -36.43 28.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.875 HG21 HD11 ' A' ' 111' ' ' LEU . 2.7 t -52.03 -40.58 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.934 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -71.07 -35.85 72.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 110.694 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -64.16 -55.47 21.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.597 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -153.38 47.4 0.67 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.323 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 115' ' ' GLU . . . 55.08 -142.63 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -61.12 -43.78 98.98 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.793 0.33 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -60.94 147.4 43.42 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.598 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 12.2 p-10 -69.76 -49.48 52.59 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.97 -31.25 64.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -54.05 -32.97 56.13 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 121.132 0.491 . . . . 0.0 110.389 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.762 HD23 HG11 ' B' ' 101' ' ' VAL . 6.0 mp -90.58 -42.06 11.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.109 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.906 ' HA ' HD12 ' A' ' 70' ' ' LEU . 21.1 m-85 -69.06 -26.78 65.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.77 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.62 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 47.5 t -63.46 -51.19 66.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.218 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG13 ' B' ' 101' ' ' VAL . 2.5 ptt? -56.89 -37.26 71.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.052 HD11 HG22 ' B' ' 101' ' ' VAL . 42.3 mt -63.99 -34.66 78.49 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.931 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.62 ' HB3' ' O ' ' A' ' 68' ' ' SER . 38.6 t70 -60.54 -42.61 96.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.47 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' HA ' ' O ' ' A' ' 76' ' ' GLY . 88.3 mt-30 -76.99 -33.52 57.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.241 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 73' ' ' ARG . 70.9 mtt-85 -76.59 -39.91 51.15 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.053 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.603 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 10.6 m-30 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.185 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.68 50.12 0.03 OUTLIER Glycine 0 CA--C 1.517 0.207 0 C-N-CA 119.91 -1.138 . . . . 0.0 114.046 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' GLN . . . 52.11 -134.66 36.48 Favored Glycine 0 CA--C 1.517 0.203 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.082 179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.45 -139.43 0.11 Allowed Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.716 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.59 -151.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.916 0.388 . . . . 0.0 111.644 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -177.86 -59.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.908 0.861 . . . . 0.0 110.313 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 91.8 mt -66.69 137.67 56.86 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.038 -1.437 . . . . 0.0 111.325 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -74.69 -59.03 2.92 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.896 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 60.5 mtm -73.25 -38.52 65.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m 66.57 140.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.954 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.36 -143.6 0.33 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.937 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -175.47 57.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -65.14 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.309 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.87 -48.1 0.17 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.568 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 56.1 mtm -65.63 149.22 50.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.968 0.413 . . . . 0.0 111.422 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.769 HG22 HD22 ' A' ' 93' ' ' LEU . 66.8 m -56.84 -44.25 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.836 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 96.5 mt-10 -51.57 -60.05 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.19 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . 55.7 mt-10 -39.31 -48.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.103 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.598 ' HG3' ' CE2' ' A' ' 96' ' ' TYR . 30.1 ttmt -67.12 -52.49 41.13 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.843 ' HG ' HD23 ' B' ' 97' ' ' LEU . 7.2 mp -59.92 -15.89 25.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.126 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 50.1 mtp85 -74.61 -44.43 50.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 96' ' ' TYR . 28.5 ptt180 -82.89 -56.41 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.907 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.694 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 95.0 m-85 -54.3 -45.61 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' B' ' 97' ' ' LEU . 6.4 tp -69.95 -58.0 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.635 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.621 ' HG3' HD22 ' B' ' 66' ' ' LEU . 39.0 ttpt -49.06 -40.97 33.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.202 0.525 . . . . 0.0 110.257 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.568 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.5 mmt180 -70.86 -63.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.199 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.746 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 82.6 p -50.03 -24.27 2.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' B' ' 100' ' ' THR . 6.1 t -68.72 -53.09 29.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.25 0.548 . . . . 0.0 110.841 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 26.3 m -73.72 -28.49 61.74 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.746 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 63.5 mm-40 -64.37 -46.77 81.93 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.806 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 105' ' ' ASP . 2.4 pp -73.01 -33.36 65.72 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.112 178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.753 ' N ' HD12 ' A' ' 104' ' ' LEU . 38.3 t70 -71.2 -15.31 62.46 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.957 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.686 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 45.4 t -89.45 -59.66 2.15 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.377 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.868 HG12 HG22 ' B' ' 107' ' ' VAL . 26.1 t -56.46 -43.97 79.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.886 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.75 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.4 t -61.66 -34.96 76.63 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.478 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -69.77 -43.43 72.19 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.668 -1.606 . . . . 0.0 112.28 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -79.52 -34.35 41.24 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.898 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.771 HD21 HG21 ' B' ' 114' ' ' VAL . 4.2 tt -51.0 -36.02 37.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.394 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 108' ' ' THR . 51.7 mtp180 -54.4 -41.62 69.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.764 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -91.43 -30.09 16.69 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.946 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.926 HG23 ' O ' ' A' ' 110' ' ' ARG . 45.7 t -58.85 -45.44 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.631 ' CA ' HG13 ' B' ' 114' ' ' VAL . 7.4 pt-20 -56.22 -46.28 79.57 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 122.646 1.213 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -57.45 -62.88 1.46 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.643 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -147.77 53.71 1.04 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 114' ' ' VAL . . . 53.15 -144.19 0.67 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.674 0.274 . . . . 0.0 111.035 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 178.15 -134.07 2.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.555 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.817 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.74 0.305 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.8 m -60.26 136.15 57.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.488 ' HB2' ' CE2' ' B' ' 67' ' ' PHE . 12.3 p-10 -62.13 -44.54 96.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.79 -32.17 70.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.402 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.41 -50.05 68.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.621 HD22 ' HG3' ' A' ' 98' ' ' LYS . 5.2 mp -75.8 -46.72 29.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.547 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.859 ' HA ' HD23 ' B' ' 70' ' ' LEU . 22.0 m-30 -55.36 -30.79 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.312 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 44.5 t -60.91 -38.1 84.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.194 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.433 ' HE3' HG12 ' A' ' 101' ' ' VAL . 68.2 mtm -55.95 -39.2 71.38 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' B' ' 67' ' ' PHE . 1.3 mm? -72.34 -38.47 68.62 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -52.52 -49.74 64.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.688 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' B' ' 76' ' ' GLY . 84.6 mt-30 -71.02 -39.5 72.32 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -73.49 -41.15 63.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' B' ' 70' ' ' LEU . 4.5 m-30 -71.74 -20.56 61.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.061 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.49 46.76 0.04 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.077 -1.058 . . . . 0.0 113.43 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' GLN . . . 51.82 -133.85 35.78 Favored Glycine 0 C--O 1.229 -0.188 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.748 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.12 -136.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.377 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.446 ' HB2' ' H ' ' B' ' 79' ' ' ASP . 0.4 OUTLIER -68.87 -152.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.669 0.271 . . . . 0.0 111.085 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.446 ' H ' ' HB2' ' B' ' 78' ' ' GLU . 8.5 t70 -176.92 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.432 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.33 130.53 39.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.495 HD12 ' N ' ' B' ' 81' ' ' LEU . 5.9 mp -73.52 -51.22 17.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 68.0 mtm -71.7 -40.56 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.655 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 53.8 m 65.49 135.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.5 -140.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.796 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -178.01 55.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.878 0.371 . . . . 0.0 110.378 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -63.97 -153.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.327 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.29 -47.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.514 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.479 ' HB2' ' HG3' ' B' ' 91' ' ' GLU . 60.1 mtm -63.64 146.06 54.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.688 ' O ' HD13 ' B' ' 93' ' ' LEU . 88.2 m -54.86 -44.21 73.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 88.3 mt-10 -57.8 -53.05 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.338 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.479 ' HG3' ' HB2' ' B' ' 88' ' ' MET . 49.9 mt-10 -43.14 -50.37 6.25 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 111.441 -179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' B' ' 96' ' ' TYR . 37.2 ttmt -69.49 -43.03 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.104 0.478 . . . . 0.0 110.171 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 93' ' ' LEU . 8.8 mp -68.02 -15.68 63.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.626 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.659 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 49.4 mtp85 -74.05 -51.61 15.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.66 0.267 . . . . 0.0 111.424 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' B' ' 96' ' ' TYR . 35.2 ptt180 -74.95 -51.62 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 100' ' ' THR . 69.4 m-85 -60.3 -45.51 93.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 9.6 tp -69.63 -47.54 63.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.645 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.72 -39.6 74.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.154 0.502 . . . . 0.0 109.765 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.484 ' O ' ' HG2' ' B' ' 103' ' ' GLU . 36.1 mmt180 -71.07 -49.96 38.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.101 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 104' ' ' LEU . 27.6 p -55.34 -46.95 76.35 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 120.902 0.382 . . . . 0.0 111.099 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 1.052 HG22 HD11 ' A' ' 70' ' ' LEU . 2.1 t -53.87 -33.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 86.4 m -84.92 -43.12 14.35 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.896 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 74' ' ' PHE . 5.0 mm-40 -62.5 -50.77 70.07 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.653 0.74 . . . . 0.0 109.568 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 104' ' ' LEU . 3.0 tm? -54.69 -40.74 69.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.688 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -75.79 -30.22 59.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.999 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' B' ' 110' ' ' ARG . 48.5 t -72.4 -57.26 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.62 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.868 HG22 HG12 ' A' ' 107' ' ' VAL . 8.7 p -60.72 -38.82 79.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.364 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' ' 107' ' ' VAL . 14.7 t -65.44 -38.21 89.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.966 0.412 . . . . 0.0 109.951 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.36 82.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.661 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' B' ' 106' ' ' SER . 29.0 mmt180 -67.67 -38.24 83.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.508 ' CD1' HG11 ' A' ' 114' ' ' VAL . 16.2 tp -53.57 -32.87 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.974 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 108' ' ' THR . 71.1 mtp180 -56.48 -48.5 77.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -82.5 -36.38 26.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.32 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.809 HG12 HG12 ' A' ' 114' ' ' VAL . 4.8 t -49.46 -44.33 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.009 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.45 -35.37 77.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.878 0.371 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -64.22 -56.08 17.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.787 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -152.68 50.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.459 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 115' ' ' GLU . . . 56.02 -145.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.333 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . 177.72 -134.4 2.44 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.966 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.6 m -61.5 145.74 50.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 37.1 m-20 -73.31 -31.92 64.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.323 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.57 -35.34 65.65 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.73 -35.65 70.97 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.157 0.503 . . . . 0.0 110.043 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' B' ' 101' ' ' VAL . 2.6 mm? -79.1 -41.26 29.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.244 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.6 m-85 -72.04 -21.74 61.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.288 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.613 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 46.9 t -66.84 -51.34 56.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.935 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.847 ' CE ' HG13 ' B' ' 101' ' ' VAL . 1.8 ptt? -56.46 -38.65 71.96 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.964 HD11 HG22 ' B' ' 101' ' ' VAL . 48.1 mt -62.12 -35.14 77.84 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.613 ' HB3' ' O ' ' A' ' 68' ' ' SER . 60.3 t0 -60.13 -36.38 77.37 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.655 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.51 -38.16 49.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.352 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -74.26 -40.97 61.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.343 0.592 . . . . 0.0 111.043 -179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE1' ' HG3' ' A' ' 103' ' ' GLU . 9.5 m-30 -70.71 -20.2 62.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.736 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.53 61.66 0.02 OUTLIER Glycine 0 N--CA 1.454 -0.128 0 C-N-CA 120.222 -0.99 . . . . 0.0 113.211 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.53 134.09 52.52 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.464 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.82 -50.4 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.537 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.28 -144.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.064 0.459 . . . . 0.0 111.571 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -175.97 -55.37 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.941 0.877 . . . . 0.0 110.334 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.907 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.2 pt? -64.12 138.93 58.69 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.838 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.39 133.25 50.93 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.007 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.06 -43.55 95.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.6 m 58.35 -148.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.83 -132.94 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.366 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -166.96 48.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.12 0.486 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 60.82 130.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.742 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' MET . . . -173.02 -81.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.224 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 87' ' ' GLY . 22.3 mmt -160.2 173.32 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.374 0.606 . . . . 0.0 111.257 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.578 HG22 HD22 ' A' ' 93' ' ' LEU . 66.4 m -89.31 -39.11 13.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.156 178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 47.3 mt-10 -45.81 -55.78 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.152 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' A' ' 94' ' ' ARG . 12.4 pt-20 -37.35 -48.41 0.92 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.973 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.735 ' HB2' ' NZ ' ' A' ' 92' ' ' LYS . 2.4 ttmp? -69.68 -52.55 24.7 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.753 ' HB3' HD13 ' B' ' 93' ' ' LEU . 5.5 mp -56.47 -19.06 13.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.821 -1.081 . . . . 0.0 112.275 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 74.5 mtt-85 -68.84 -47.19 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.359 -0.213 . . . . 0.0 111.563 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.806 ' HA ' ' HE3' ' A' ' 98' ' ' LYS . 12.5 ptp180 -84.49 -56.36 3.66 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.636 ' CE1' ' HB3' ' A' ' 67' ' ' PHE . 97.4 m-85 -52.33 -40.76 62.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.6 tm? -69.92 -63.37 1.09 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 95' ' ' ARG . 22.3 pttp -48.67 -38.0 20.03 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 110.268 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.3 mmt180 -69.53 -64.3 0.91 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.902 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 103' ' ' GLU . 49.6 p -54.72 -25.55 28.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.034 HG22 HD11 ' B' ' 70' ' ' LEU . 38.2 t -67.7 -47.73 78.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.088 0.47 . . . . 0.0 110.568 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.513 ' HA ' ' HB3' ' A' ' 105' ' ' ASP . 21.3 m -78.31 -33.13 49.49 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.814 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 5.2 mm-40 -60.15 -43.04 96.04 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.848 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.753 ' CD2' HG22 ' B' ' 100' ' ' THR . 1.3 pp -76.59 -36.28 57.62 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.366 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 109' ' ' ALA . 10.7 t70 -68.25 -16.28 63.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.974 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 44.8 t -89.51 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.194 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 108' ' ' THR . 22.7 m -53.27 -42.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.376 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.663 ' HA ' HG21 ' B' ' 107' ' ' VAL . 1.3 t -63.64 -33.07 74.81 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.071 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 105' ' ' ASP . . . -73.16 -36.51 66.63 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.679 -1.6 . . . . 0.0 112.558 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -88.62 -28.85 20.39 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.904 0.383 . . . . 0.0 111.855 -179.104 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.885 HD22 HG23 ' B' ' 107' ' ' VAL . 59.3 tp -52.69 -41.18 63.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.628 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 109' ' ' ALA . 5.6 ptm180 -56.69 -34.52 67.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.406 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.476 ' HG3' ' HG3' ' A' ' 112' ' ' ARG . 39.2 mt-10 -91.72 -29.96 16.53 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.541 0.686 . . . . 0.0 110.597 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 110' ' ' ARG . 73.6 t -57.34 -46.59 85.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.275 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.639 ' CA ' HG13 ' B' ' 114' ' ' VAL . 5.1 pt-20 -58.37 -44.5 88.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 122.617 1.199 . . . . 0.0 109.948 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -60.92 -77.95 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 112.793 -2.003 . . . . 0.0 112.377 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 117' ' ' ARG . 60.1 mtt85 -67.13 -51.75 50.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.275 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 118' ' ' ALA . . . 59.47 -139.63 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.632 0.253 . . . . 0.0 110.914 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.86 134.3 40.68 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.59 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.982 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.788 0.328 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.58 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' B' ' 67' ' ' PHE . 31.7 m-20 -62.21 -37.55 85.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.776 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' B' ' 67' ' ' PHE . 29.8 m-20 -49.18 -36.99 21.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.247 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.53 -44.32 80.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.953 0.406 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 66' ' ' LEU . 2.8 mm? -67.59 -45.25 76.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.423 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 97' ' ' LEU . 71.9 m-85 -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.815 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 46.5 t -54.68 -43.8 72.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.682 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' B' ' 73' ' ' ARG . 51.9 mtm -55.17 -39.57 69.67 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.245 0.545 . . . . 0.0 109.746 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 1.034 HD11 HG22 ' A' ' 101' ' ' VAL . 65.6 mt -67.55 -39.77 84.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.63 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.89 -41.08 67.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.859 0.362 . . . . 0.0 111.018 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' HA ' ' CA ' ' B' ' 76' ' ' GLY . 51.9 tt0 -72.4 -41.95 65.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.816 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 69' ' ' MET . 30.6 mmt180 -72.19 -46.32 56.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 0.0 111.758 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' B' ' 70' ' ' LEU . 3.8 m-30 -71.36 -20.63 62.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.83 -178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.7 56.05 0.04 OUTLIER Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.945 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' B' ' 72' ' ' GLN . . . -58.23 133.08 52.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.595 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.07 -45.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.402 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' B' ' 79' ' ' ASP . 51.6 mt-10 -68.2 -144.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' B' ' 78' ' ' GLU . 38.0 t70 -176.99 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.948 0.404 . . . . 0.0 110.531 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.822 ' H ' HD23 ' B' ' 80' ' ' LEU . 1.9 pt? -67.33 136.32 54.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.967 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.27 133.14 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.014 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 22.5 ptp -64.73 -42.01 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 52.4 m 58.37 -142.78 0.66 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.065 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.01 -130.76 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.422 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -170.05 48.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 64.84 135.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.999 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -177.77 -110.95 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.314 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.701 ' O ' ' HG2' ' B' ' 91' ' ' GLU . 61.4 mtt -145.03 148.73 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 63.1 m -63.04 -34.87 78.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.712 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' B' ' 94' ' ' ARG . 43.7 mt-10 -53.86 -48.25 70.2 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' B' ' 88' ' ' MET . 12.2 pt-20 -42.06 -45.7 4.0 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.871 0.367 . . . . 0.0 111.006 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.686 ' NZ ' ' HB2' ' B' ' 92' ' ' LYS . 4.2 ttmp? -75.77 -40.69 54.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.191 0.52 . . . . 0.0 109.817 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.753 HD13 ' HB3' ' A' ' 93' ' ' LEU . 82.4 mt -65.51 -16.29 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.327 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' B' ' 90' ' ' GLU . 72.0 mtt-85 -71.45 -55.93 6.93 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.882 ' HA ' ' HE3' ' B' ' 98' ' ' LYS . 13.7 ptp180 -76.56 -52.39 9.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.615 ' HD2' HD12 ' B' ' 70' ' ' LEU . 85.6 m-85 -59.41 -40.17 85.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.59 ' CA ' HD23 ' A' ' 97' ' ' LEU . 3.4 tm? -67.95 -52.67 33.33 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.321 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.882 ' HE3' ' HA ' ' B' ' 95' ' ' ARG . 22.1 pttp -57.49 -36.08 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' B' ' 95' ' ' ARG . 36.3 mmt180 -70.12 -48.37 57.84 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.027 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . 0.753 HG22 ' CD2' ' A' ' 104' ' ' LEU . 40.5 p -60.38 -51.33 69.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.211 0.529 . . . . 0.0 111.283 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.964 HG22 HD11 ' A' ' 70' ' ' LEU . 2.0 t -53.23 -31.65 18.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.256 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 95.0 m -88.57 -47.83 8.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.693 0.282 . . . . 0.0 110.956 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.546 ' O ' HG12 ' B' ' 107' ' ' VAL . 5.3 mm-40 -56.73 -50.88 70.89 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.256 0.55 . . . . 0.0 109.946 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.537 ' O ' HG22 ' B' ' 108' ' ' THR . 16.3 tp -52.44 -49.04 65.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.839 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.05 -32.81 74.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.539 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.492 ' O ' ' HD3' ' B' ' 110' ' ' ARG . 47.8 t -68.22 -65.3 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.726 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 111' ' ' LEU . 0.7 OUTLIER -54.65 -42.89 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -179.438 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.537 HG22 ' O ' ' B' ' 104' ' ' LEU . 15.1 t -64.13 -35.95 82.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.298 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . 0.652 ' O ' ' HG2' ' B' ' 112' ' ' ARG . . . -64.77 -43.28 93.79 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.11 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -79.84 -25.34 40.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.798 HD11 HG21 ' A' ' 114' ' ' VAL . 38.0 tp -57.61 -40.54 79.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.881 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' B' ' 109' ' ' ALA . 7.6 ptm180 -57.96 -40.81 81.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' B' ' 112' ' ' ARG . 55.1 mt-10 -81.43 -36.92 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.792 HG21 HD11 ' A' ' 111' ' ' LEU . 1.1 t -50.76 -43.96 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.536 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 114' ' ' VAL . 16.3 pt-20 -69.6 -36.6 76.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.939 0.399 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.1 -69.06 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.621 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' B' ' 117' ' ' ARG . 59.0 mtt85 -70.2 -49.36 50.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.459 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 118' ' ' ALA . . . 60.99 -142.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.198 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.96 135.37 40.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.975 -179.959 . . . . . . . . 0 0 . 1 stop_ save_