data_2nr1_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 2nr1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 . . . . . 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.96 77.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -45.65 84.42 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.981 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -52.95 -54.05 40.59 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.872 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -57.2 -42.69 81.72 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 113.027 -1.897 . . . . 0.0 111.512 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.12 -31.81 62.35 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 118.258 -1.925 . . . . 0.0 112.497 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.78 -53.25 36.56 Favored 'Isoleucine or valine' 0 C--O 1.172 -3.021 0 C-N-CA 118.123 -1.431 . . . . 0.0 108.952 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.3 mt -47.1 -43.73 20.68 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 118.878 -1.129 . . . . 0.0 113.628 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -63.49 1.14 Allowed 'General case' 0 C--O 1.206 -1.235 0 CA-C-N 113.723 -1.58 . . . . 0.0 112.736 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 86.3 m-20 -65.29 -17.09 64.23 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 118.436 -1.306 . . . . 0.0 112.007 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -82.66 -16.54 47.85 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.335 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -37.85 5.72 Favored Glycine 0 C--O 1.208 -1.471 0 C-N-CA 116.529 -2.748 . . . . 0.0 110.362 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -74.98 -29.49 22.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 C-N-CA 117.237 -1.785 . . . . 0.0 111.25 176.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -40.32 7.3 Favored Glycine 0 C--N 1.356 1.67 0 C-N-CA 118.758 -1.687 . . . . 0.0 110.854 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.362 1.136 0 O-C-N 127.187 2.345 . . . . 0.0 109.702 -177.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -28.62 63.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -51.19 36.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.19 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -56.56 -47.82 78.64 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.507 1.146 . . . . 0.0 110.323 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -34.44 77.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 118.017 -1.473 . . . . 0.0 110.879 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.48 -31.55 80.59 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 119.254 -1.451 . . . . 0.0 111.168 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.6 t -72.16 -50.85 33.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 C-N-CA 118.447 -1.301 . . . . 0.0 109.571 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.51 -44.12 80.44 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.273 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.87 -46.46 87.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 117.826 -1.55 . . . . 0.0 111.894 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -73.83 -13.77 60.98 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.953 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -80.71 -29.45 36.41 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.45 -35.93 28.03 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 117.013 -2.518 . . . . 0.0 110.981 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.2 mt -73.38 -39.38 55.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 C-N-CA 117.602 -1.639 . . . . 0.0 111.554 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.77 93.71 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.812 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 O-C-N 127.779 2.693 . . . . 0.0 109.267 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.7 -31.47 68.35 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.61 -47.09 76.85 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -56.13 25.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 117.578 -1.649 . . . . 0.0 111.052 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -33.28 73.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 117.702 -1.599 . . . . 0.0 111.756 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.17 -28.39 73.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 119.003 -1.57 . . . . 0.0 111.458 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' SER . 49.4 t -70.37 -51.96 33.69 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 C-N-CA 118.363 -1.335 . . . . 0.0 108.797 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.31 -46.64 36.47 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 123.648 0.592 . . . . 0.0 112.365 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -57.58 -54.77 43.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 117.609 -1.636 . . . . 0.0 111.642 176.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.51 -7.88 47.02 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 117.96 -1.496 . . . . 0.0 110.804 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 3.8 m -85.55 -20.43 29.62 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.859 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.64 -45.17 5.28 Favored Glycine 0 C--N 1.345 1.08 0 C-N-CA 115.633 -3.175 . . . . 0.0 111.121 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' CD1' HD12 ' A' ' 21' ' ' LEU . 2.6 mp -82.8 -21.84 9.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 117.717 -1.593 . . . . 0.0 111.328 176.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.59 -29.09 14.5 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 118.23 -1.938 . . . . 0.0 112.41 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 CA--C 1.553 1.065 0 O-C-N 126.533 1.96 . . . . 0.0 109.978 -178.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -34.39 54.28 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' ' CG2' ' A' ' 19' ' ' VAL . 49.3 t80 -57.74 -46.37 84.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.756 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -49.14 -45.24 43.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.8 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.43 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 3.5 m0 -66.99 -30.55 70.7 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 118.212 -1.395 . . . . 0.0 110.921 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . -71.9 -15.13 76.03 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 118.326 -1.892 . . . . 0.0 111.722 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 86.2 t -75.27 -58.09 5.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 O-C-N 124.704 0.885 . . . . 0.0 109.54 177.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 17' ' ' TRP . 2.0 pp -56.28 -33.95 66.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.205 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -58.04 -58.25 9.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.937 177.655 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -67.68 -15.64 63.75 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.615 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -13.77 54.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.213 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.35 -29.24 8.0 Favored Glycine 0 C--N 1.342 0.908 0 C-N-CA 118.16 -1.971 . . . . 0.0 111.139 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 HD13 HD12 ' A' ' 21' ' ' LEU . 6.8 mt -85.34 -30.19 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 116.94 -1.904 . . . . 0.0 110.73 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.01 -42.62 8.69 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 118.55 -1.786 . . . . 0.0 111.367 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.785 0 O-C-N 125.118 1.128 . . . . 0.0 109.118 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -73.47 -36.48 65.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.5 -47.29 73.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.475 -1.29 . . . . 0.0 110.28 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -57.57 -40.65 79.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.221 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -66.92 -29.68 69.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.595 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.75 73.78 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.661 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 56.1 t -71.21 -51.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 118.366 -1.333 . . . . 0.0 110.32 175.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.87 -34.33 65.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.374 -0.93 . . . . 0.0 110.718 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -64.35 0.91 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.53 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' ND2' ' HA ' ' A' ' 19' ' ' VAL . 3.8 p30 -65.11 -18.01 64.94 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 117.229 -1.789 . . . . 0.0 110.567 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -79.38 -17.47 54.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 118.776 -1.169 . . . . 0.0 110.966 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.64 -23.13 22.05 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 118.896 -1.621 . . . . 0.0 111.16 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.11 -33.88 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 116.755 -1.978 . . . . 0.0 110.455 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.44 -52.52 6.02 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 117.966 -2.064 . . . . 0.0 112.095 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 125.451 1.324 . . . . 0.0 109.571 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -34.73 71.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.88 -56.79 4.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 118.359 -1.336 . . . . 0.0 109.495 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -52.01 63.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 117.892 -1.523 . . . . 0.0 111.712 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -65.9 -29.91 70.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 117.319 -1.752 . . . . 0.0 110.762 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -62.73 -35.22 91.61 Favored Glycine 0 C--N 1.34 0.799 0 O-C-N 124.751 1.282 . . . . 0.0 111.18 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' SER . 19.4 t -71.09 -49.9 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.205 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.53 -57.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 119.029 0.831 . . . . 0.0 112.764 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.8 pp -59.34 -46.78 87.66 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 118.931 -1.108 . . . . 0.0 111.808 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -64.51 -22.56 67.0 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.846 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.13 -37.45 66.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.816 1.294 . . . . 0.0 109.239 -178.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.91 -27.57 49.62 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 116.865 -2.588 . . . . 0.0 110.711 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.4 mt -79.62 -34.95 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 118.288 -1.365 . . . . 0.0 111.385 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.57 68.17 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 CA--C 1.549 0.929 0 O-C-N 126.229 1.782 . . . . 0.0 110.092 174.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.543 ' CG ' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -33.53 67.19 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.73 -55.97 5.58 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.657 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -52.87 61.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 117.515 -1.674 . . . . 0.0 111.747 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -64.94 -29.95 70.92 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.311 -1.756 . . . . 0.0 111.095 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -63.02 -33.89 88.48 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.922 1.389 . . . . 0.0 111.591 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . 16.5 t -72.37 -48.96 45.54 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.452 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.531 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.91 -58.47 5.36 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.805 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.8 pp -58.46 -46.95 85.55 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.17 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -65.26 -19.04 65.78 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.13 -1.428 . . . . 0.0 110.297 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.7 -35.97 57.54 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.449 1.595 . . . . 0.0 109.182 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.4 -28.17 45.13 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 116.563 -2.732 . . . . 0.0 110.819 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.3 mt -79.1 -34.98 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.467 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.39 67.24 0.07 OUTLIER Glycine 0 C--O 1.224 -0.515 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.548 0.882 0 O-C-N 126.368 1.864 . . . . 0.0 110.27 174.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -72.7 -29.16 63.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -62.14 1.52 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.235 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -48.0 -41.13 24.61 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 111.993 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -64.83 -40.11 94.67 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 118.372 -1.331 . . . . 0.0 111.032 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.17 -25.57 64.72 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 118.668 -1.729 . . . . 0.0 111.987 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.63 -50.45 44.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.674 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.62 -35.54 68.41 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.684 -1.207 . . . . 0.0 110.837 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -57.19 14.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.425 -1.31 . . . . 0.0 111.793 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.41 -12.27 61.51 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 118.088 -1.445 . . . . 0.0 111.136 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.43 -22.18 32.74 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.4 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.13 -28.75 16.78 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 117.892 -2.099 . . . . 0.0 112.208 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.3 mt -86.47 -30.59 6.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.459 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.14 -44.03 61.93 Favored Glycine 0 C--N 1.346 1.096 0 C-N-CA 118.122 -1.989 . . . . 0.0 111.544 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 125.494 1.35 . . . . 0.0 109.067 -178.71 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -73.62 -31.12 63.37 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -47.3 76.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.251 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -45.69 -57.42 4.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.585 0.707 . . . . 0.0 111.492 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -66.16 -24.77 66.71 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -24.8 76.53 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 118.597 -1.763 . . . . 0.0 111.296 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.3 -54.91 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 118.036 -1.465 . . . . 0.0 109.403 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.87 -39.94 75.26 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.403 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -44.37 86.85 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 118.362 -1.335 . . . . 0.0 110.705 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -71.77 -21.46 61.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 117.973 -1.491 . . . . 0.0 109.425 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -78.92 -15.7 57.97 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 124.634 1.209 . . . . 0.0 110.578 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 -22.39 22.69 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 117.01 -2.519 . . . . 0.0 111.063 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.0 mm -83.76 -29.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 117.713 -1.595 . . . . 0.0 110.729 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.69 -3.25 30.5 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 118.476 -1.821 . . . . 0.0 112.611 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 O-C-N 124.369 0.687 . . . . 0.0 109.842 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -38.2 63.47 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -55.16 -41.49 71.9 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.641 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -49.33 -49.82 42.42 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.4 1.095 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 m0 -65.49 -31.49 72.59 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.928 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.76 -22.06 78.65 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 118.203 -1.951 . . . . 0.0 111.655 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.6 t -72.69 -52.28 23.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.16 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 17' ' ' TRP . 2.8 pp -59.34 -32.37 70.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 117.337 -1.745 . . . . 0.0 110.028 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -58.12 9.88 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.796 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.25 -24.62 67.95 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 118.053 -1.459 . . . . 0.0 110.772 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HA ' ' OXT' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -68.78 -26.17 65.07 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.444 1.715 . . . . 0.0 111.739 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.08 -26.6 25.8 Favored Glycine 0 C--O 1.221 -0.703 0 C-N-CA 117.018 -2.515 . . . . 0.0 110.866 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.02 -44.24 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 117.738 -1.585 . . . . 0.0 111.19 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.16 51.21 0.34 Allowed Glycine 0 C--O 1.223 -0.568 0 C-N-CA 117.48 -2.295 . . . . 0.0 110.68 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' OXT' ' HA ' ' A' ' 23' ' ' SER . 19.6 pt-20 . . . . . 0 CA--C 1.557 1.231 0 O-C-N 128.285 2.991 . . . . 0.0 112.343 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 . . . . . 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 7' ' ' LEU . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.702 ' O ' ' HG2' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.96 77.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -45.65 84.42 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.981 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -52.95 -54.05 40.59 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.872 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -57.2 -42.69 81.72 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 113.027 -1.897 . . . . 0.0 111.512 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.12 -31.81 62.35 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 118.258 -1.925 . . . . 0.0 112.497 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.78 -53.25 36.56 Favored 'Isoleucine or valine' 0 C--O 1.172 -3.021 0 C-N-CA 118.123 -1.431 . . . . 0.0 108.952 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.3 mt -47.1 -43.73 20.68 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 118.878 -1.129 . . . . 0.0 113.628 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -55.08 -63.49 1.14 Allowed 'General case' 0 C--O 1.206 -1.235 0 CA-C-N 113.723 -1.58 . . . . 0.0 112.736 176.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 86.3 m-20 -65.29 -17.09 64.23 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 118.436 -1.306 . . . . 0.0 112.007 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -82.66 -16.54 47.85 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.335 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -37.85 5.72 Favored Glycine 0 C--O 1.208 -1.471 0 C-N-CA 116.529 -2.748 . . . . 0.0 110.362 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -74.98 -29.49 22.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 C-N-CA 117.237 -1.785 . . . . 0.0 111.25 176.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -40.32 7.3 Favored Glycine 0 C--N 1.356 1.67 0 C-N-CA 118.758 -1.687 . . . . 0.0 110.854 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.362 1.136 0 O-C-N 127.187 2.345 . . . . 0.0 109.702 -177.644 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -28.62 63.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -51.19 36.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.19 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -56.56 -47.82 78.64 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.507 1.146 . . . . 0.0 110.323 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -34.44 77.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 118.017 -1.473 . . . . 0.0 110.879 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.48 -31.55 80.59 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 119.254 -1.451 . . . . 0.0 111.168 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.6 t -72.16 -50.85 33.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 C-N-CA 118.447 -1.301 . . . . 0.0 109.571 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.51 -44.12 80.44 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.273 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.87 -46.46 87.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 117.826 -1.55 . . . . 0.0 111.894 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -73.83 -13.77 60.98 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.953 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -80.71 -29.45 36.41 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.45 -35.93 28.03 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 117.013 -2.518 . . . . 0.0 110.981 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.2 mt -73.38 -39.38 55.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 C-N-CA 117.602 -1.639 . . . . 0.0 111.554 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.77 93.71 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.812 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 O-C-N 127.779 2.693 . . . . 0.0 109.267 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.7 -31.47 68.35 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.8 m-85 -65.61 -47.09 76.85 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.781 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -56.13 25.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 117.578 -1.649 . . . . 0.0 111.052 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -33.28 73.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 117.702 -1.599 . . . . 0.0 111.756 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.17 -28.39 73.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 119.003 -1.57 . . . . 0.0 111.458 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' SER . 49.4 t -70.37 -51.96 33.69 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 C-N-CA 118.363 -1.335 . . . . 0.0 108.797 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.31 -46.64 36.47 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 123.648 0.592 . . . . 0.0 112.365 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.58 -54.77 43.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 117.609 -1.636 . . . . 0.0 111.642 176.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.51 -7.88 47.02 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 117.96 -1.496 . . . . 0.0 110.804 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 3.8 m -85.55 -20.43 29.62 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.859 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.64 -45.17 5.28 Favored Glycine 0 C--N 1.345 1.08 0 C-N-CA 115.633 -3.175 . . . . 0.0 111.121 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.8 -21.84 9.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 117.717 -1.593 . . . . 0.0 111.328 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.59 -29.09 14.5 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 118.23 -1.938 . . . . 0.0 112.41 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 CA--C 1.553 1.065 0 O-C-N 126.533 1.96 . . . . 0.0 109.978 -178.813 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -77.48 -34.39 54.28 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' ' CG2' ' A' ' 19' ' ' VAL . 49.3 t80 -57.74 -46.37 84.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.756 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -49.14 -45.24 43.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.8 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.513 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 m0 -66.99 -30.55 70.7 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 118.212 -1.395 . . . . 0.0 110.921 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . -71.9 -15.13 76.03 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 118.326 -1.892 . . . . 0.0 111.722 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 86.2 t -75.27 -58.09 5.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 O-C-N 124.704 0.885 . . . . 0.0 109.54 177.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' TRP . 2.0 pp -56.28 -33.95 66.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.205 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -58.04 -58.25 9.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.937 177.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -67.68 -15.64 63.75 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.615 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -83.34 -13.77 54.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.213 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.35 -29.24 8.0 Favored Glycine 0 C--N 1.342 0.908 0 C-N-CA 118.16 -1.971 . . . . 0.0 111.139 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.8 mt -85.34 -30.19 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 116.94 -1.904 . . . . 0.0 110.73 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.01 -42.62 8.69 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 118.55 -1.786 . . . . 0.0 111.367 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.785 0 O-C-N 125.118 1.128 . . . . 0.0 109.118 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 7' ' ' LEU . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -73.47 -36.48 65.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.5 -47.29 73.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.475 -1.29 . . . . 0.0 110.28 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -57.57 -40.65 79.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.221 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -66.92 -29.68 69.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.595 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.75 73.78 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.661 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 56.1 t -71.21 -51.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 118.366 -1.333 . . . . 0.0 110.32 175.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.87 -34.33 65.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.374 -0.93 . . . . 0.0 110.718 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -64.35 0.91 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.53 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.11 -18.01 64.94 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 117.229 -1.789 . . . . 0.0 110.567 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -79.38 -17.47 54.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 118.776 -1.169 . . . . 0.0 110.966 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.64 -23.13 22.05 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 118.896 -1.621 . . . . 0.0 111.16 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.11 -33.88 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 116.755 -1.978 . . . . 0.0 110.455 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.44 -52.52 6.02 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 117.966 -2.064 . . . . 0.0 112.095 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 125.451 1.324 . . . . 0.0 109.571 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.702 ' O ' ' HG2' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -34.73 71.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.88 -56.79 4.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 118.359 -1.336 . . . . 0.0 109.495 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -52.01 63.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 117.892 -1.523 . . . . 0.0 111.712 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -65.9 -29.91 70.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 117.319 -1.752 . . . . 0.0 110.762 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -62.73 -35.22 91.61 Favored Glycine 0 C--N 1.34 0.799 0 O-C-N 124.751 1.282 . . . . 0.0 111.18 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' SER . 19.4 t -71.09 -49.9 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.205 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.53 -57.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 119.029 0.831 . . . . 0.0 112.764 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 22' ' ' ASN . 1.8 pp -59.34 -46.78 87.66 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 118.931 -1.108 . . . . 0.0 111.808 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.654 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t-20 -64.51 -22.56 67.0 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.846 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.13 -37.45 66.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.816 1.294 . . . . 0.0 109.239 -178.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.91 -27.57 49.62 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 116.865 -2.588 . . . . 0.0 110.711 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 21' ' ' LEU . 5.4 mt -79.62 -34.95 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 118.288 -1.365 . . . . 0.0 111.385 176.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.57 68.17 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 CA--C 1.549 0.929 0 O-C-N 126.229 1.782 . . . . 0.0 110.092 174.56 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -33.53 67.19 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.73 -55.97 5.58 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.657 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -52.87 61.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 117.515 -1.674 . . . . 0.0 111.747 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -64.94 -29.95 70.92 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.311 -1.756 . . . . 0.0 111.095 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -63.02 -33.89 88.48 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.922 1.389 . . . . 0.0 111.591 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . 16.5 t -72.37 -48.96 45.54 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.452 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.531 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.91 -58.47 5.36 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.805 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 22' ' ' ASN . 1.8 pp -58.46 -46.95 85.55 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.17 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.65 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -65.26 -19.04 65.78 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.13 -1.428 . . . . 0.0 110.297 -179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.7 -35.97 57.54 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.449 1.595 . . . . 0.0 109.182 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.4 -28.17 45.13 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 116.563 -2.732 . . . . 0.0 110.819 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 21' ' ' LEU . 5.3 mt -79.1 -34.98 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.467 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.39 67.24 0.07 OUTLIER Glycine 0 C--O 1.224 -0.515 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.548 0.882 0 O-C-N 126.368 1.864 . . . . 0.0 110.27 174.892 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -72.7 -29.16 63.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -62.14 1.52 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.235 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -48.0 -41.13 24.61 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 111.993 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -64.83 -40.11 94.67 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 118.372 -1.331 . . . . 0.0 111.032 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.17 -25.57 64.72 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 118.668 -1.729 . . . . 0.0 111.987 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.63 -50.45 44.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.674 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.62 -35.54 68.41 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.684 -1.207 . . . . 0.0 110.837 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.59 -57.19 14.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.425 -1.31 . . . . 0.0 111.793 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.41 -12.27 61.51 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 118.088 -1.445 . . . . 0.0 111.136 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.43 -22.18 32.74 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.4 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.13 -28.75 16.78 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 117.892 -2.099 . . . . 0.0 112.208 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.3 mt -86.47 -30.59 6.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.459 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.14 -44.03 61.93 Favored Glycine 0 C--N 1.346 1.096 0 C-N-CA 118.122 -1.989 . . . . 0.0 111.544 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 125.494 1.35 . . . . 0.0 109.067 -178.71 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -73.62 -31.12 63.37 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -47.3 76.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.251 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -45.69 -57.42 4.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.585 0.707 . . . . 0.0 111.492 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -66.16 -24.77 66.71 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -24.8 76.53 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 118.597 -1.763 . . . . 0.0 111.296 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.3 -54.91 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 118.036 -1.465 . . . . 0.0 109.403 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.87 -39.94 75.26 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.403 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -57.93 -44.37 86.85 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 118.362 -1.335 . . . . 0.0 110.705 176.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.698 ' N ' HD23 ' A' ' 21' ' ' LEU . 16.9 m120 -71.77 -21.46 61.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 117.973 -1.491 . . . . 0.0 109.425 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -78.92 -15.7 57.97 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 124.634 1.209 . . . . 0.0 110.578 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 -22.39 22.69 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 117.01 -2.519 . . . . 0.0 111.063 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.0 mm -83.76 -29.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 117.713 -1.595 . . . . 0.0 110.729 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.69 -3.25 30.5 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 118.476 -1.821 . . . . 0.0 112.611 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 O-C-N 124.369 0.687 . . . . 0.0 109.842 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -38.2 63.47 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.9 t80 -55.16 -41.49 71.9 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.641 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -49.33 -49.82 42.42 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.4 1.095 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.7 m0 -65.49 -31.49 72.59 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.928 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.76 -22.06 78.65 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 118.203 -1.951 . . . . 0.0 111.655 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 15' ' ' PHE . 50.6 t -72.69 -52.28 23.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.16 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' TRP . 2.8 pp -59.34 -32.37 70.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 117.337 -1.745 . . . . 0.0 110.028 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.26 -58.12 9.88 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.796 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.25 -24.62 67.95 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 118.053 -1.459 . . . . 0.0 110.772 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' OXT' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -68.78 -26.17 65.07 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.444 1.715 . . . . 0.0 111.739 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.08 -26.6 25.8 Favored Glycine 0 C--O 1.221 -0.703 0 C-N-CA 117.018 -2.515 . . . . 0.0 110.866 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.02 -44.24 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 117.738 -1.585 . . . . 0.0 111.19 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.16 51.21 0.34 Allowed Glycine 0 C--O 1.223 -0.568 0 C-N-CA 117.48 -2.295 . . . . 0.0 110.68 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' OXT' ' HA ' ' A' ' 23' ' ' SER . 19.6 pt-20 . . . . . 0 CA--C 1.557 1.231 0 O-C-N 128.285 2.991 . . . . 0.0 112.343 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 . . . . . 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 7' ' ' LEU . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.702 ' O ' ' HG2' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 . . . . . 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.21 -1.025 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -12.51 61.39 Favored 'General case' 0 C--O 1.185 -2.34 0 C-N-CA 117.636 -1.626 . . . . 0.0 112.241 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -68.82 -50.63 48.47 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 116.398 -2.121 . . . . 0.0 111.585 179.075 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -34.15 72.59 Favored 'General case' 0 C--O 1.199 -1.564 0 C-N-CA 117.957 -1.497 . . . . 0.0 108.595 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.31 -35.94 73.98 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-N 113.996 -1.457 . . . . 0.0 111.098 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.7 t -71.52 -63.29 1.15 Allowed 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 114.363 -1.289 . . . . 0.0 109.948 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.4 p -52.0 -38.48 56.93 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 118.758 -1.177 . . . . 0.0 110.729 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.59 -54.74 40.31 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 114.121 -1.4 . . . . 0.0 112.918 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -34.93 40.09 Favored 'General case' 0 C--O 1.207 -1.134 0 C-N-CA 117.418 -1.713 . . . . 0.0 112.453 176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -35.96 77.01 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.25 -1.796 . . . . 0.0 112.67 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.07 -45.65 84.42 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.981 -178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -52.95 -54.05 40.59 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.407 -1.724 . . . . 0.0 111.872 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -57.2 -42.69 81.72 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 113.027 -1.897 . . . . 0.0 111.512 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.12 -31.81 62.35 Favored Glycine 0 C--N 1.361 1.939 0 C-N-CA 118.258 -1.925 . . . . 0.0 112.497 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.78 -53.25 36.56 Favored 'Isoleucine or valine' 0 C--O 1.172 -3.021 0 C-N-CA 118.123 -1.431 . . . . 0.0 108.952 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.3 mt -47.1 -43.73 20.68 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 118.878 -1.129 . . . . 0.0 113.628 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -55.08 -63.49 1.14 Allowed 'General case' 0 C--O 1.206 -1.235 0 CA-C-N 113.723 -1.58 . . . . 0.0 112.736 176.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 25' ' ' ILE . 86.3 m-20 -65.29 -17.09 64.23 Favored 'General case' 0 C--O 1.208 -1.113 0 C-N-CA 118.436 -1.306 . . . . 0.0 112.007 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.8 m -82.66 -16.54 47.85 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.335 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -37.85 5.72 Favored Glycine 0 C--O 1.208 -1.471 0 C-N-CA 116.529 -2.748 . . . . 0.0 110.362 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -74.98 -29.49 22.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 C-N-CA 117.237 -1.785 . . . . 0.0 111.25 176.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.62 -40.32 7.3 Favored Glycine 0 C--N 1.356 1.67 0 C-N-CA 118.758 -1.687 . . . . 0.0 110.854 -175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.362 1.136 0 O-C-N 127.187 2.345 . . . . 0.0 109.702 -177.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 m-20 . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 120.582 0.23 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -68.96 -18.74 64.12 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.944 -1.502 . . . . 0.0 111.484 -175.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -44.3 74.05 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 117.938 -1.505 . . . . 0.0 111.823 -178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 87.3 m -73.62 -33.3 64.5 Favored 'General case' 0 C--O 1.212 -0.883 0 C-N-CA 118.028 -1.469 . . . . 0.0 109.707 176.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 2.5 mm? -64.42 -35.83 82.2 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 118.251 -1.379 . . . . 0.0 111.226 177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -74.03 -71.06 0.35 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.666 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.9 m -45.26 -37.26 4.54 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.238 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' THR . . . -51.12 -55.97 15.04 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttt -60.95 -25.76 67.03 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 116.923 -1.911 . . . . 0.0 112.061 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.66 -28.62 63.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.128 -1.396 . . . . 0.0 112.031 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.75 -51.19 36.22 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.19 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 t -56.56 -47.82 78.64 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.507 1.146 . . . . 0.0 110.323 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -34.44 77.93 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 118.017 -1.473 . . . . 0.0 110.879 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.48 -31.55 80.59 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 119.254 -1.451 . . . . 0.0 111.168 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 80.6 t -72.16 -50.85 33.78 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.157 0 C-N-CA 118.447 -1.301 . . . . 0.0 109.571 177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.51 -44.12 80.44 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 118.022 -1.471 . . . . 0.0 112.273 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.87 -46.46 87.76 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 117.826 -1.55 . . . . 0.0 111.894 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -73.83 -13.77 60.98 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 117.686 -1.606 . . . . 0.0 110.953 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -80.71 -29.45 36.41 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.45 -35.93 28.03 Favored Glycine 0 C--N 1.35 1.324 0 C-N-CA 117.013 -2.518 . . . . 0.0 110.981 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 39.2 mt -73.38 -39.38 55.14 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 C-N-CA 117.602 -1.639 . . . . 0.0 111.554 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.77 93.71 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 117.385 -1.786 . . . . 0.0 111.812 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.55 0.969 0 O-C-N 127.779 2.693 . . . . 0.0 109.267 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 CA--C 1.51 -0.586 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.43 -12.25 61.45 Favored 'General case' 0 C--O 1.198 -1.619 0 C-N-CA 117.027 -1.869 . . . . 0.0 110.87 -175.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.62 -52.94 25.94 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 118.146 -1.421 . . . . 0.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.7 m -72.04 -30.08 64.82 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 118.653 -1.219 . . . . 0.0 109.963 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 9' ' ' LEU . 3.9 tt -68.7 -39.26 80.59 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 118.309 -1.356 . . . . 0.0 110.352 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t -71.72 -62.34 1.45 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -43.64 16.5 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.158 0.912 . . . . 0.0 109.921 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.62 -55.13 21.1 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.4 ttt -56.5 -30.27 62.79 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 116.979 -1.888 . . . . 0.0 112.743 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -70.7 -31.47 68.35 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 112.727 -2.033 . . . . 0.0 111.469 178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.8 m-85 -65.61 -47.09 76.85 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.781 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -56.13 25.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 117.578 -1.649 . . . . 0.0 111.052 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -33.28 73.56 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 117.702 -1.599 . . . . 0.0 111.756 179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.17 -28.39 73.65 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 119.003 -1.57 . . . . 0.0 111.458 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 23' ' ' SER . 49.4 t -70.37 -51.96 33.69 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 C-N-CA 118.363 -1.335 . . . . 0.0 108.797 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.31 -46.64 36.47 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 123.648 0.592 . . . . 0.0 112.365 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -57.58 -54.77 43.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 117.609 -1.636 . . . . 0.0 111.642 176.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -70.51 -7.88 47.02 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 117.96 -1.496 . . . . 0.0 110.804 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 3.8 m -85.55 -20.43 29.62 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.859 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.64 -45.17 5.28 Favored Glycine 0 C--N 1.345 1.08 0 C-N-CA 115.633 -3.175 . . . . 0.0 111.121 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.8 -21.84 9.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.353 0 C-N-CA 117.717 -1.593 . . . . 0.0 111.328 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.59 -29.09 14.5 Favored Glycine 0 C--N 1.338 0.69 0 C-N-CA 118.23 -1.938 . . . . 0.0 112.41 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 CA--C 1.553 1.065 0 O-C-N 126.533 1.96 . . . . 0.0 109.978 -178.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--O 1.246 0.907 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.98 -15.07 62.98 Favored 'General case' 0 C--N 1.347 0.482 0 C-N-CA 118.61 -1.236 . . . . 0.0 110.644 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -46.66 67.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 117.946 -1.502 . . . . 0.0 110.113 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -32.43 66.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 116.503 -2.079 . . . . 0.0 108.413 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 9' ' ' LEU . 1.8 tt -64.02 -41.29 97.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 122.156 0.979 . . . . 0.0 108.783 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 11' ' ' SER . 1.3 p -74.61 -59.41 2.74 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.237 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.451 ' N ' ' OG ' ' A' ' 10' ' ' SER . 66.0 m -49.64 -28.85 6.33 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.64 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.59 1.09 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 119.787 -0.765 . . . . 0.0 112.141 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -24.52 25.48 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 118.485 -1.286 . . . . 0.0 111.43 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -77.48 -34.39 54.28 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.159 174.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' ' CG2' ' A' ' 19' ' ' VAL . 49.3 t80 -57.74 -46.37 84.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.756 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -49.14 -45.24 43.46 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.812 -0.755 . . . . 0.0 111.8 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.513 ' HA ' HD21 ' A' ' 20' ' ' LEU . 3.5 m0 -66.99 -30.55 70.7 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 118.212 -1.395 . . . . 0.0 110.921 175.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 15' ' ' PHE . . . -71.9 -15.13 76.03 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 118.326 -1.892 . . . . 0.0 111.722 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 86.2 t -75.27 -58.09 5.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.476 0 O-C-N 124.704 0.885 . . . . 0.0 109.54 177.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' TRP . 2.0 pp -56.28 -33.95 66.0 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 118.047 -1.461 . . . . 0.0 111.205 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -58.04 -58.25 9.24 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.937 177.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -67.68 -15.64 63.75 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 118.893 -1.123 . . . . 0.0 110.615 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -83.34 -13.77 54.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.213 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.35 -29.24 8.0 Favored Glycine 0 C--N 1.342 0.908 0 C-N-CA 118.16 -1.971 . . . . 0.0 111.139 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.8 mt -85.34 -30.19 6.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 116.94 -1.904 . . . . 0.0 110.73 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.01 -42.62 8.69 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 118.55 -1.786 . . . . 0.0 111.367 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.785 0 O-C-N 125.118 1.128 . . . . 0.0 109.118 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' ALA . 14.1 t70 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' N ' ' CG ' ' A' ' 5' ' ' ASP . . . -69.42 -15.67 63.34 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 118.949 -1.1 . . . . 0.0 110.389 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 7' ' ' LEU . 11.0 tp -69.08 -49.77 54.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 117.852 -1.539 . . . . 0.0 110.569 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 -33.96 72.29 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 118.822 -1.151 . . . . 0.0 109.85 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -65.77 -38.9 90.31 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 113.936 -1.483 . . . . 0.0 110.183 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -72.03 -62.63 1.36 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.57 -1.195 . . . . 0.0 109.907 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -47.55 -32.28 5.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.468 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -51.76 55.47 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 119.541 -0.864 . . . . 0.0 113.118 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.4 ttt -56.22 -22.35 28.85 Favored 'General case' 0 CA--C 1.556 1.193 0 CA-C-O 122.823 1.297 . . . . 0.0 111.275 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -73.47 -36.48 65.84 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 117.357 -1.737 . . . . 0.0 111.027 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -66.5 -47.29 73.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.475 -1.29 . . . . 0.0 110.28 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 82.6 p -57.57 -40.65 79.41 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 118.915 -1.114 . . . . 0.0 110.221 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -66.92 -29.68 69.62 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.595 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.75 73.78 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.661 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.523 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 56.1 t -71.21 -51.57 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 118.366 -1.333 . . . . 0.0 110.32 175.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.87 -34.33 65.38 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.374 -0.93 . . . . 0.0 110.718 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -64.35 0.91 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.53 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.523 ' ND2' ' HA ' ' A' ' 19' ' ' VAL . 3.8 p30 -65.11 -18.01 64.94 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 117.229 -1.789 . . . . 0.0 110.567 -179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -79.38 -17.47 54.35 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 118.776 -1.169 . . . . 0.0 110.966 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.64 -23.13 22.05 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 118.896 -1.621 . . . . 0.0 111.16 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.5 mt -81.11 -33.88 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 116.755 -1.978 . . . . 0.0 110.455 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.44 -52.52 6.02 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 117.966 -2.064 . . . . 0.0 112.095 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 125.451 1.324 . . . . 0.0 109.571 -179.556 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -20.84 64.72 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 118.65 -1.22 . . . . 0.0 110.534 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.8 -53.38 27.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 118.269 -1.372 . . . . 0.0 111.688 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -70.71 -31.74 68.71 Favored 'General case' 0 C--O 1.226 -0.146 0 C-N-CA 118.147 -1.421 . . . . 0.0 110.381 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -64.73 -42.46 95.21 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 123.047 1.403 . . . . 0.0 109.992 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.702 ' O ' ' HG2' ' A' ' 13' ' ' MET . 28.0 t -70.78 -65.23 0.76 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.937 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.96 -39.02 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.373 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.97 -52.92 61.56 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.815 175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.702 ' HG2' ' O ' ' A' ' 10' ' ' SER . 8.7 ptm -61.6 -23.91 66.33 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 116.71 -1.996 . . . . 0.0 110.575 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -34.73 71.05 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 119.398 -0.921 . . . . 0.0 111.123 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.88 -56.79 4.69 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 118.359 -1.336 . . . . 0.0 109.495 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -52.01 63.76 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 117.892 -1.523 . . . . 0.0 111.712 -178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -65.9 -29.91 70.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 117.319 -1.752 . . . . 0.0 110.762 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -62.73 -35.22 91.61 Favored Glycine 0 C--N 1.34 0.799 0 O-C-N 124.751 1.282 . . . . 0.0 111.18 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' SER . 19.4 t -71.09 -49.9 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 119.23 -0.988 . . . . 0.0 109.205 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -49.53 -57.93 6.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 119.029 0.831 . . . . 0.0 112.764 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 22' ' ' ASN . 1.8 pp -59.34 -46.78 87.66 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 118.931 -1.108 . . . . 0.0 111.808 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.654 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 t-20 -64.51 -22.56 67.0 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 118.372 -1.331 . . . . 0.0 109.846 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.13 -37.45 66.64 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 122.816 1.294 . . . . 0.0 109.239 -178.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.91 -27.57 49.62 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 116.865 -2.588 . . . . 0.0 110.711 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 21' ' ' LEU . 5.4 mt -79.62 -34.95 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 118.288 -1.365 . . . . 0.0 111.385 176.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.57 68.17 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 CA--C 1.549 0.929 0 O-C-N 126.229 1.782 . . . . 0.0 110.092 174.56 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.252 0.072 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.57 -19.14 62.9 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 118.134 -1.426 . . . . 0.0 111.138 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.14 -52.48 27.67 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 117.57 -1.652 . . . . 0.0 111.77 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.5 m -71.91 -29.99 64.9 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 117.64 -1.624 . . . . 0.0 110.615 176.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.2 tm? -66.19 -41.08 90.71 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 123.412 1.577 . . . . 0.0 110.069 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' MET . 26.7 t -72.13 -65.09 0.82 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.989 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -39.05 4.44 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.675 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.67 -53.03 60.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 119.469 -0.893 . . . . 0.0 112.023 175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' SER . 9.4 ptm -61.76 -22.7 65.63 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 116.354 -2.139 . . . . 0.0 111.351 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -33.53 67.19 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 119.017 -1.073 . . . . 0.0 111.33 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -73.73 -55.97 5.58 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.657 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -52.87 61.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 117.515 -1.674 . . . . 0.0 111.747 -178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -64.94 -29.95 70.92 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.311 -1.756 . . . . 0.0 111.095 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -63.02 -33.89 88.48 Favored Glycine 0 C--N 1.348 1.217 0 O-C-N 124.922 1.389 . . . . 0.0 111.591 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' SER . 16.5 t -72.37 -48.96 45.54 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.452 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.531 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mt -49.91 -58.47 5.36 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.805 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 22' ' ' ASN . 1.8 pp -58.46 -46.95 85.55 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.17 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.65 ' N ' HD12 ' A' ' 21' ' ' LEU . 14.9 t-20 -65.26 -19.04 65.78 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 118.13 -1.428 . . . . 0.0 110.297 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.7 -35.97 57.54 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 123.449 1.595 . . . . 0.0 109.182 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.4 -28.17 45.13 Favored Glycine 0 C--N 1.344 1.02 0 C-N-CA 116.563 -2.732 . . . . 0.0 110.819 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 21' ' ' LEU . 5.3 mt -79.1 -34.98 17.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 118.188 -1.405 . . . . 0.0 111.467 176.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.39 67.24 0.07 OUTLIER Glycine 0 C--O 1.224 -0.515 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.548 0.882 0 O-C-N 126.368 1.864 . . . . 0.0 110.27 174.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . -67.58 -16.44 64.18 Favored 'General case' 0 C--O 1.199 -1.558 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.864 -175.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -46.54 71.24 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 117.236 -1.786 . . . . 0.0 111.363 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -72.42 -34.8 68.11 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 118.012 -1.475 . . . . 0.0 110.74 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.43 -42.64 98.7 Favored 'General case' 0 C--O 1.215 -0.736 0 O-C-N 124.947 1.404 . . . . 0.0 110.352 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 1.5 t -71.92 -60.11 2.4 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.486 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.4 t -46.53 -39.41 10.86 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.341 -178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.71 -57.38 10.3 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 119.725 -0.79 . . . . 0.0 113.031 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.49 65.93 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 122.789 1.28 . . . . 0.0 111.639 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -72.7 -29.16 63.16 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.494 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.5 -62.14 1.52 Allowed 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.235 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -48.0 -41.13 24.61 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.052 0.93 . . . . 0.0 111.993 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -64.83 -40.11 94.67 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 118.372 -1.331 . . . . 0.0 111.032 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.17 -25.57 64.72 Favored Glycine 0 C--N 1.348 1.204 0 C-N-CA 118.668 -1.729 . . . . 0.0 111.987 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.63 -50.45 44.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 C-N-CA 118.525 -1.27 . . . . 0.0 109.674 175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -56.62 -35.54 68.41 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.684 -1.207 . . . . 0.0 110.837 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -58.59 -57.19 14.08 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 118.425 -1.31 . . . . 0.0 111.793 177.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.41 -12.27 61.51 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 118.088 -1.445 . . . . 0.0 111.136 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.1 t -83.43 -22.18 32.74 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.4 177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.13 -28.75 16.78 Favored Glycine 0 C--N 1.349 1.283 0 C-N-CA 117.892 -2.099 . . . . 0.0 112.208 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.3 mt -86.47 -30.59 6.09 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 C-N-CA 117.176 -1.81 . . . . 0.0 110.459 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.14 -44.03 61.93 Favored Glycine 0 C--N 1.346 1.096 0 C-N-CA 118.122 -1.989 . . . . 0.0 111.544 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 125.494 1.35 . . . . 0.0 109.067 -178.71 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.25 -16.78 63.08 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 117.787 -1.565 . . . . 0.0 111.29 -177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -49.73 55.59 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 117.782 -1.567 . . . . 0.0 110.622 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -70.99 -34.89 71.81 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.331 -0.947 . . . . 0.0 110.004 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -68.65 -35.2 76.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.039 -179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -74.49 -60.39 2.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.26 -0.976 . . . . 0.0 110.4 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.4 p -48.6 -39.79 25.17 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.658 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.07 -59.03 4.61 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.81 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -23.34 65.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 117.794 -1.562 . . . . 0.0 111.902 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -73.62 -31.12 63.37 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.947 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.5 -47.3 76.49 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.251 -178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -45.69 -57.42 4.25 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.585 0.707 . . . . 0.0 111.492 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -66.16 -24.77 66.71 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 118.489 -1.284 . . . . 0.0 110.608 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.49 -24.8 76.53 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 118.597 -1.763 . . . . 0.0 111.296 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.3 -54.91 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 118.036 -1.465 . . . . 0.0 109.403 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mt -56.87 -39.94 75.26 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.403 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 22' ' ' ASN . 0.3 OUTLIER -57.93 -44.37 86.85 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 118.362 -1.335 . . . . 0.0 110.705 176.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.698 ' N ' HD23 ' A' ' 21' ' ' LEU . 16.9 m120 -71.77 -21.46 61.72 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 117.973 -1.491 . . . . 0.0 109.425 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -78.92 -15.7 57.97 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 124.634 1.209 . . . . 0.0 110.578 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.17 -22.39 22.69 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 117.01 -2.519 . . . . 0.0 111.063 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 37.0 mm -83.76 -29.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 117.713 -1.595 . . . . 0.0 110.729 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.69 -3.25 30.5 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 118.476 -1.821 . . . . 0.0 112.611 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 O-C-N 124.369 0.687 . . . . 0.0 109.842 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.223 -0.328 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 9' ' ' LEU . . . -70.24 -13.61 62.25 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.084 -175.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 tt -69.14 -46.74 66.86 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 118.346 -1.342 . . . . 0.0 110.695 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.7 m -70.94 -35.06 72.05 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 118.046 -1.462 . . . . 0.0 109.968 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 3.5 mm? -67.12 -36.35 81.71 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.328 -1.305 . . . . 0.0 110.377 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.4 t -74.01 -67.67 0.59 Allowed 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.23 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.42 -39.71 10.98 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.974 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -55.48 34.46 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 118.644 -1.222 . . . . 0.0 112.494 175.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -26.87 39.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 117.148 -1.821 . . . . 0.0 113.448 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 -38.2 63.47 Favored 'General case' 0 C--N 1.347 0.493 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.306 174.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.749 ' O ' HG23 ' A' ' 19' ' ' VAL . 37.9 t80 -55.16 -41.49 71.9 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.641 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.4 t -49.33 -49.82 42.42 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-O 122.4 1.095 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.487 ' HA ' HD23 ' A' ' 20' ' ' LEU . 2.7 m0 -65.49 -31.49 72.59 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.928 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.76 -22.06 78.65 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 118.203 -1.951 . . . . 0.0 111.655 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 15' ' ' PHE . 50.6 t -72.69 -52.28 23.83 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.862 0 C-N-CA 118.862 -1.135 . . . . 0.0 109.16 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 17' ' ' TRP . 2.8 pp -59.34 -32.37 70.03 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 117.337 -1.745 . . . . 0.0 110.028 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -58.26 -58.12 9.88 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.866 -1.516 . . . . 0.0 109.796 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.25 -24.62 67.95 Favored 'General case' 0 C--O 1.217 -0.64 0 C-N-CA 118.053 -1.459 . . . . 0.0 110.772 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.422 ' HA ' ' OXT' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -68.78 -26.17 65.07 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 125.444 1.715 . . . . 0.0 111.739 178.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.08 -26.6 25.8 Favored Glycine 0 C--O 1.221 -0.703 0 C-N-CA 117.018 -2.515 . . . . 0.0 110.866 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.4 mt -72.02 -44.24 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 117.738 -1.585 . . . . 0.0 111.19 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.16 51.21 0.34 Allowed Glycine 0 C--O 1.223 -0.568 0 C-N-CA 117.48 -2.295 . . . . 0.0 110.68 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' OXT' ' HA ' ' A' ' 23' ' ' SER . 19.6 pt-20 . . . . . 0 CA--C 1.557 1.231 0 O-C-N 128.285 2.991 . . . . 0.0 112.343 178.387 . . . . . . . . 1 1 . 1 stop_ save_