data_2ls9_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 2ls9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.981 0.419 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.52 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' HIS . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG11 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' H ' HG11 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.49 ' HA2' ' HB2' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt . . . . . 0 N--CA 1.444 -0.772 0 CA-C-O 121.031 0.443 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 15' ' ' HIS . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 18' ' ' LYS . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.088 0.471 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.571 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 18' ' ' LYS . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 16' ' ' VAL . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 8.1 mmmm . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' ' HB2' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.525 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.85 0.357 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.722 ' H ' HG13 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 18' ' ' LYS . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.478 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' H ' HD21 ' A' ' 21' ' ' LEU . 2.7 pt? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -114.1 13.86 18.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.12 -16.18 79.7 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -73.72 6.43 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 94.5 m-85 -110.2 51.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.122 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -57.76 98.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.225 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? 43.3 58.05 3.55 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.657 0.598 . . . . 0.0 111.442 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.704 ' HE3' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.11 -11.21 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.02 -20.65 57.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.64 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -147.42 48.07 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 110.571 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -161.03 -61.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.972 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.738 -174.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.032 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -66.36 145.1 56.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.759 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 -14.77 23.76 Favored Glycine 0 C--N 1.329 0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.995 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -84.62 23.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 0.0 110.478 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -104.25 13.98 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.2 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.684 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . 39.1 p90 -65.02 -19.46 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.835 -173.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -72.82 -32.27 65.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 6' ' ' PHE . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.52 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' HIS . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG11 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' H ' HG11 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB2' HD23 ' A' ' 25' ' ' LEU . 4.3 pp -67.54 -7.79 28.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -82.36 -10.83 58.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.794 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -102.66 -57.94 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.854 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.34 -154.24 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 21' ' ' LEU . 10.6 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.63 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -150.68 -47.87 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 4' ' ' SER . . . -67.75 126.88 24.83 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.442 176.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 70.7 m 67.13 6.19 4.62 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.433 0.635 . . . . 0.0 110.642 -174.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.75 -5.54 12.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.684 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.235 -176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.0 -38.38 79.07 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.49 ' HA2' ' HB2' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 4.6 pp -58.63 -17.06 19.07 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.43 -12.5 60.01 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.297 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -161.54 33.72 0.13 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 54.3 t80 -170.36 -61.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.674 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 tp . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.389 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -116.2 36.06 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 0.0 110.635 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.57 17.4 39.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.94 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -83.68 -9.19 59.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.121 0.486 . . . . 0.0 110.552 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -102.32 108.67 20.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.52 -59.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.602 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -76.46 -41.05 48.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.262 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' O ' HG21 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 15' ' ' HIS . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' A' ' 18' ' ' LYS . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.54 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.5 pp -59.95 -18.53 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -69.79 -17.54 63.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.561 . . . . 0.0 110.927 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -72.96 -12.28 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.467 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.598 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -135.89 -27.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 177.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.598 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 85.8 mt . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -69.68 105.15 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 5' ' ' PHE . . . 135.27 -19.83 3.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.69 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -72.19 6.49 2.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.211 0.529 . . . . 0.0 110.698 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 3' ' ' GLY . 50.5 m-85 -108.44 -2.0 19.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.648 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 33.39 -79.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.385 1.474 . . . . 0.0 114.795 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -54.12 -42.79 69.86 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.885 0.474 . . . . 0.0 110.519 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' A' ' 18' ' ' LYS . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 16' ' ' VAL . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.73 -8.46 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -11.26 48.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.322 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -98.64 -20.58 16.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -141.53 156.9 45.69 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.89 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.874 176.472 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.434 ' HZ2' ' CD1' ' A' ' 6' ' ' PHE . 80.2 t90 -138.36 136.77 36.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.84 -135.54 2.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.502 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -81.76 16.49 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.417 0.627 . . . . 0.0 110.181 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.24 10.76 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.818 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' CD1' ' HZ2' ' A' ' 2' ' ' TRP . 36.0 t80 -45.13 -62.17 1.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -171.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 8.1 mmmm -71.62 -15.27 62.24 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -170.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.623 ' HA2' ' HB2' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.89 -11.73 49.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -85.65 -16.97 37.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.247 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -95.95 -64.83 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.32 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 1.9 p90 -107.68 174.06 6.05 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.134 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 93.6 mt . . . . . 0 C--O 1.248 1.011 0 O-C-N 124.097 0.873 . . . . 0.0 110.794 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 60.4 m95 72.83 -36.3 0.35 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.471 0.708 . . . . 0.0 112.117 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -65.24 127.04 31.9 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.932 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p 58.6 13.57 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.412 1.085 . . . . 0.0 111.241 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -136.04 26.71 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -105.97 -49.07 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.095 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -67.37 -34.34 77.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.807 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.792 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.4 pp -62.8 -11.18 16.19 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.92 -32.38 73.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.637 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -130.6 43.02 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.612 0.72 . . . . 0.0 109.66 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.792 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 59.9 t80 -142.93 -51.01 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.274 -173.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.998 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -89.81 133.41 34.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.47 -8.76 15.24 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.865 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -78.78 -5.37 53.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.14 0.495 . . . . 0.0 110.596 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -98.99 34.67 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.815 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.95 -34.04 66.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.038 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -63.26 -48.51 77.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.819 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 3.5 pp -61.04 -21.03 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -23.97 67.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.749 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -135.43 45.73 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 109.454 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.819 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 44.7 t80 -140.77 -36.14 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.921 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.65 179.301 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . 26.6 m-90 -87.77 62.88 7.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.215 0.531 . . . . 0.0 111.253 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.63 2.43 87.34 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.229 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m -75.38 -12.62 60.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.121 0.486 . . . . 0.0 110.343 175.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 90.1 m-85 -88.31 66.12 8.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 0.0 110.092 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -89.09 2.85 53.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 0.0 109.415 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.65 57.63 1.76 Allowed 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.403 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG13 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.722 ' H ' HG13 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 18' ' ' LYS . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.2 pp -64.62 -14.5 58.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -28.82 69.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.197 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -132.02 40.98 3.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.355 0.598 . . . . 0.0 110.287 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.656 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 t80 -145.13 -70.97 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.557 -175.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.04 179.495 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.938 0 CA-C-O 120.379 -0.123 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -128.19 147.43 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.237 0.519 . . . . 0.0 110.319 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.01 -16.08 62.09 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.958 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -72.36 -9.8 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.493 0.663 . . . . 0.0 109.465 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.591 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 77.2 m-85 -100.11 80.1 2.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -58.42 -40.78 83.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.201 -170.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -88.44 -15.58 35.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 5' ' ' PHE . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' O ' HG11 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.532 ' HB3' HD12 ' A' ' 25' ' ' LEU . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.692 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HA ' ' HD1' ' A' ' 23' ' ' HIS . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 2.7 pt? -66.96 -13.82 62.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -84.95 -8.7 58.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.861 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' HD1' ' HA ' ' A' ' 20' ' ' ALA . 68.6 m80 -94.99 -76.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.514 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -85.68 -3.06 58.78 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.32 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.981 0.419 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.665 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt . . . . . 0 N--CA 1.444 -0.772 0 CA-C-O 121.031 0.443 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 19' ' ' ALA . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.088 0.471 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.85 0.357 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.788 ' H ' HG12 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 21' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.474 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.777 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -114.1 13.86 18.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.12 -16.18 79.7 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -73.72 6.43 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.751 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 94.5 m-85 -110.2 51.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.122 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -57.76 98.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.225 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? 43.3 58.05 3.55 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.657 0.598 . . . . 0.0 111.442 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.751 ' HE3' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.665 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.11 -11.21 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.02 -20.65 57.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.64 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -147.42 48.07 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 110.571 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -161.03 -61.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.972 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.738 -174.794 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.032 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -66.36 145.1 56.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.759 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 -14.77 23.76 Favored Glycine 0 C--N 1.329 0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.995 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -84.62 23.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 0.0 110.478 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -104.25 13.98 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.2 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.68 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.1 p90 -65.02 -19.46 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.835 -173.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -72.82 -32.27 65.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.3 pp -67.54 -7.79 28.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -82.36 -10.83 58.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.794 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -102.66 -57.94 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.854 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.34 -154.24 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 21' ' ' LEU . 10.6 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.63 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -150.68 -47.87 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.75 126.88 24.83 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.442 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.7 m 67.13 6.19 4.62 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.433 0.635 . . . . 0.0 110.642 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.75 -5.54 12.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.684 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 76.3 t80 -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.235 -176.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.0 -38.38 79.07 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 6' ' ' PHE . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.692 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 4.6 pp -58.63 -17.06 19.07 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.43 -12.5 60.01 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.297 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -161.54 33.72 0.13 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 54.3 t80 -170.36 -61.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 tp . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.389 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -116.2 36.06 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 0.0 110.635 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.57 17.4 39.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.94 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -83.68 -9.19 59.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.121 0.486 . . . . 0.0 110.552 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -102.32 108.67 20.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.52 -59.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.602 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -76.46 -41.05 48.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.262 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 19' ' ' ALA . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.5 pp -59.95 -18.53 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -69.79 -17.54 63.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.561 . . . . 0.0 110.927 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -72.96 -12.28 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.467 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.605 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -135.89 -27.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 177.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 85.8 mt . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -69.68 105.15 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.27 -19.83 3.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.69 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -72.19 6.49 2.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.211 0.529 . . . . 0.0 110.698 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -108.44 -2.0 19.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.648 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 33.39 -79.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.385 1.474 . . . . 0.0 114.795 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -54.12 -42.79 69.86 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.885 0.474 . . . . 0.0 110.519 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.73 -8.46 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -11.26 48.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.322 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -98.64 -20.58 16.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -141.53 156.9 45.69 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.89 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.874 176.472 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' HZ2' ' CD1' ' A' ' 6' ' ' PHE . 80.2 t90 -138.36 136.77 36.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.84 -135.54 2.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.502 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -81.76 16.49 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.417 0.627 . . . . 0.0 110.181 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.24 10.76 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.818 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CD1' ' HZ2' ' A' ' 2' ' ' TRP . 36.0 t80 -45.13 -62.17 1.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -171.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.62 -15.27 62.24 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.89 -11.73 49.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -85.65 -16.97 37.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.247 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -95.95 -64.83 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.32 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.459 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 1.9 p90 -107.68 174.06 6.05 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.134 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 93.6 mt . . . . . 0 C--O 1.248 1.011 0 O-C-N 124.097 0.873 . . . . 0.0 110.794 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 60.4 m95 72.83 -36.3 0.35 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.471 0.708 . . . . 0.0 112.117 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.24 127.04 31.9 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.932 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p 58.6 13.57 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.412 1.085 . . . . 0.0 111.241 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -136.04 26.71 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -105.97 -49.07 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.095 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -67.37 -34.34 77.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.807 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.4 pp -62.8 -11.18 16.19 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.92 -32.38 73.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.637 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -130.6 43.02 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.612 0.72 . . . . 0.0 109.66 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.807 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 59.9 t80 -142.93 -51.01 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.274 -173.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.998 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -89.81 133.41 34.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.47 -8.76 15.24 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.865 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -78.78 -5.37 53.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.14 0.495 . . . . 0.0 110.596 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -98.99 34.67 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.815 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.95 -34.04 66.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.038 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -63.26 -48.51 77.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 3.5 pp -61.04 -21.03 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -23.97 67.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.749 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -135.43 45.73 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 109.454 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.844 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 44.7 t80 -140.77 -36.14 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.921 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.65 179.301 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.53 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . 26.6 m-90 -87.77 62.88 7.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.215 0.531 . . . . 0.0 111.253 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.63 2.43 87.34 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.229 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m -75.38 -12.62 60.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.121 0.486 . . . . 0.0 110.343 175.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 90.1 m-85 -88.31 66.12 8.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 0.0 110.092 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -89.09 2.85 53.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 0.0 109.415 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.65 57.63 1.76 Allowed 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.403 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.788 ' H ' HG12 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.2 pp -64.62 -14.5 58.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -28.82 69.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.197 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -132.02 40.98 3.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.355 0.598 . . . . 0.0 110.287 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 t80 -145.13 -70.97 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.557 -175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.04 179.495 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.938 0 CA-C-O 120.379 -0.123 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -128.19 147.43 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.237 0.519 . . . . 0.0 110.319 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.01 -16.08 62.09 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.958 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -72.36 -9.8 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.493 0.663 . . . . 0.0 109.465 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 77.2 m-85 -100.11 80.1 2.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -58.42 -40.78 83.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.201 -170.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -88.44 -15.58 35.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HB2' ' HB3' ' A' ' 5' ' ' PHE . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB3' HD11 ' A' ' 25' ' ' LEU . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.777 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 2.7 pt? -66.96 -13.82 62.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -84.95 -8.7 58.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.861 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -94.99 -76.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -85.68 -3.06 58.78 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.104 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.32 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.981 0.419 . . . . 0.0 111.442 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.665 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.535 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt . . . . . 0 N--CA 1.444 -0.772 0 CA-C-O 121.031 0.443 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 19' ' ' ALA . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.088 0.471 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.232 0.183 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.85 0.357 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.788 ' H ' HG12 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 21' ' ' LEU . 4.2 pp . . . . . 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.514 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.474 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.777 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.7 pt? . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -114.1 13.86 18.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.12 -16.18 79.7 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 m -73.72 6.43 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.94 0.4 . . . . 0.0 111.368 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.751 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . 94.5 m-85 -110.2 51.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.122 178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -57.76 98.56 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.225 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 3.3 mppt? 43.3 58.05 3.55 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.657 0.598 . . . . 0.0 111.442 -177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.751 ' HE3' ' HB3' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -27.09 61.73 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.138 -175.006 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.72 -36.72 31.78 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . . . -73.94 -34.8 64.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.548 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -37.23 78.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.413 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -82.58 -33.73 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.413 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.99 95.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.872 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -67.53 -8.75 36.4 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -177.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -59.54 -37.95 79.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 109.911 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.83 43.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-O 121.661 0.743 . . . . 0.0 110.709 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -64.36 -12.16 49.98 Favored Glycine 0 C--N 1.315 -0.593 0 CA-C-N 114.8 -1.091 . . . . 0.0 113.237 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.665 ' H ' ' HD2' ' A' ' 18' ' ' LYS . 8.9 mptt -60.62 -32.31 71.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.92 0.391 . . . . 0.0 110.601 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.02 19.2 18.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.6 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -105.94 -10.72 16.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.737 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.11 -11.21 12.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.352 -178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.02 -20.65 57.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.64 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -147.42 48.07 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 110.571 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -161.03 -61.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.972 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 C--O 1.25 1.083 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.738 -174.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.032 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -66.36 145.1 56.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.75 0.31 . . . . 0.0 110.759 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 -14.77 23.76 Favored Glycine 0 C--N 1.329 0.165 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.995 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 m -84.62 23.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.217 0.532 . . . . 0.0 110.478 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -104.25 13.98 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.2 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.68 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.1 p90 -65.02 -19.46 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.835 -173.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -72.82 -32.27 65.4 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.009 0.433 . . . . 0.0 110.947 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.6 mppt? -104.31 11.31 34.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.517 176.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 6' ' ' PHE . . . -62.45 -39.42 93.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.871 -174.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.54 -27.35 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.467 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.535 ' HA ' ' HE3' ' A' ' 14' ' ' LYS . 60.8 m80 -64.83 -41.86 95.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.024 0.44 . . . . 0.0 110.745 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.14 -32.6 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.586 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.72 85.56 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.607 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 11' ' ' HIS . 23.1 pttp -81.43 39.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.389 0.614 . . . . 0.0 110.94 176.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -56.04 -24.47 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.228 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 19' ' ' ALA . 34.5 t -56.79 -80.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.304 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.47 -42.52 0.68 Allowed Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.488 -174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' VAL . 37.0 mtpt -57.0 -44.31 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.066 0.546 . . . . 0.0 111.937 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -98.98 17.95 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.072 0.463 . . . . 0.0 110.681 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.37 -30.65 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.603 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 25' ' ' LEU . 4.3 pp -67.54 -7.79 28.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.468 0.651 . . . . 0.0 110.476 177.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -82.36 -10.83 58.92 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.794 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -102.66 -57.94 1.96 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.854 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -91.34 -154.24 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 21' ' ' LEU . 10.6 tp . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.714 -1.136 . . . . 0.0 110.63 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -150.68 -47.87 0.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.75 126.88 24.83 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.442 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.7 m 67.13 6.19 4.62 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.433 0.635 . . . . 0.0 110.642 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -115.75 -5.54 12.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.684 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 76.3 t80 -58.75 -33.95 70.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.235 -176.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -59.0 -38.38 79.07 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.005 0.431 . . . . 0.0 110.566 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 3.7 mppt? -84.17 -25.6 29.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.312 0.577 . . . . 0.0 110.69 177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 6' ' ' PHE . . . -69.67 -28.53 65.95 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.688 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -29.74 69.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.903 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 13.7 m-70 -65.7 -41.19 92.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.244 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.7 -32.71 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.732 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.07 -51.11 61.17 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.402 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.74 -20.86 61.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.819 -0.224 . . . . 0.0 111.075 178.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -63.87 -51.89 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.3 m -100.15 38.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.664 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.534 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -71.47 -6.21 61.59 Favored Glycine 0 C--N 1.31 -0.867 0 CA-C-N 114.878 -1.055 . . . . 0.0 113.532 -174.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -70.38 -11.04 60.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 117.192 0.496 . . . . 0.0 111.578 -174.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.65 21.13 7.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.429 0.633 . . . . 0.0 109.641 173.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -130.25 -39.19 1.35 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.716 -175.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.692 ' HA ' ' HB3' ' A' ' 25' ' ' LEU . 4.6 pp -58.63 -17.06 19.07 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.529 . . . . 0.0 111.408 -176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.43 -12.5 60.01 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.297 -178.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -161.54 33.72 0.13 Allowed 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.331 -174.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 20' ' ' ALA . 54.3 t80 -170.36 -61.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 tp . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.358 -0.829 . . . . 0.0 110.389 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.482 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -116.2 36.06 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.431 . . . . 0.0 110.635 -178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.57 17.4 39.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.94 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -83.68 -9.19 59.02 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.121 0.486 . . . . 0.0 110.552 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -102.32 108.67 20.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.328 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.52 -59.73 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.602 173.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -76.46 -41.05 48.66 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.262 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mppt? -66.69 -15.39 63.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.032 177.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.86 -17.49 61.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.555 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 -7.99 58.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.029 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -106.79 -38.81 5.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.341 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 14.9 t -83.64 6.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.558 0.694 . . . . 0.0 109.64 176.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.15 -33.77 87.87 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.675 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -79.62 30.58 0.24 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 122.642 0.377 . . . . 0.0 110.837 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . 15.1 t-80 -64.02 -13.53 47.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.33 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG12 ' H ' ' A' ' 19' ' ' ALA . 46.7 t -57.04 -51.6 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.2 -48.26 0.88 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -71.57 -28.69 64.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 0.0 110.499 -174.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' H ' HG12 ' A' ' 16' ' ' VAL . . . -109.71 3.41 20.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.133 0.492 . . . . 0.0 110.42 176.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.97 -23.06 16.48 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.446 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' CE1' ' A' ' 24' ' ' TYR . 4.5 pp -59.95 -18.53 46.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.912 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -69.79 -17.54 63.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.279 0.561 . . . . 0.0 110.927 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -72.96 -12.28 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.467 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.605 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -135.89 -27.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 177.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 85.8 mt . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.531 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -69.68 105.15 2.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.27 -19.83 3.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.69 -177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -72.19 6.49 2.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.211 0.529 . . . . 0.0 110.698 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -108.44 -2.0 19.4 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.648 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.3 p90 33.39 -79.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.385 1.474 . . . . 0.0 114.795 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -54.12 -42.79 69.86 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 122.885 0.474 . . . . 0.0 110.519 178.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.593 ' HD3' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -94.33 62.31 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.654 -179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.08 -90.76 0.25 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.247 175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.42 -2.04 16.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.694 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 45.8 m80 -68.68 -27.86 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.8 m -95.22 -25.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.151 0.5 . . . . 0.0 110.898 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.31 74.69 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.499 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -70.09 5.19 1.72 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.616 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -66.18 -20.14 66.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.462 . . . . 0.0 110.016 177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.32 -60.66 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.416 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.75 -43.59 1.17 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -77.02 -70.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.704 -176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.44 23.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.63 0.252 . . . . 0.0 111.639 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.22 -2.5 5.05 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.73 -8.46 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 111.12 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -11.26 48.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.322 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -98.64 -20.58 16.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.71 -174.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -141.53 156.9 45.69 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.89 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.874 176.472 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' HZ2' ' CD1' ' A' ' 6' ' ' PHE . 80.2 t90 -138.36 136.77 36.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.84 -135.54 2.01 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.502 -175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -81.76 16.49 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.417 0.627 . . . . 0.0 110.181 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -93.24 10.76 30.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.818 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CD1' ' HZ2' ' A' ' 2' ' ' TRP . 36.0 t80 -45.13 -62.17 1.35 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -171.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -71.62 -15.27 62.24 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -170.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.565 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -109.84 -9.94 14.78 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -177.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.69 -67.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.996 -172.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.98 18.41 3.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.936 0.398 . . . . 0.0 111.043 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.33 -43.27 3.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.038 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 8' ' ' LYS . 34.1 m -102.87 -33.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.725 176.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.03 -25.1 73.33 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.313 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.15 -20.28 62.52 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.313 0.245 . . . . 0.0 111.353 179.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -63.37 -40.08 96.28 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.192 0.52 . . . . 0.0 110.724 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 m -109.92 17.76 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.64 ' HA2' ' HB3' ' A' ' 20' ' ' ALA . . . -57.36 -11.31 6.74 Favored Glycine 0 C--N 1.319 -0.403 0 CA-C-N 115.177 -0.919 . . . . 0.0 112.894 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -11.13 59.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.947 -178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.17 2.91 4.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.368 0.604 . . . . 0.0 109.925 175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . . . -95.8 -23.82 16.76 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.338 -176.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.89 -11.73 49.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.674 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -85.65 -16.97 37.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.247 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -95.95 -64.83 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.32 -176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.459 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 1.9 p90 -107.68 174.06 6.05 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.134 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' HG ' ' HD1' ' A' ' 24' ' ' TYR . 93.6 mt . . . . . 0 C--O 1.248 1.011 0 O-C-N 124.097 0.873 . . . . 0.0 110.794 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' TRP . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.337 -0.305 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 60.4 m95 72.83 -36.3 0.35 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.471 0.708 . . . . 0.0 112.117 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.24 127.04 31.9 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.932 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.2 p 58.6 13.57 2.65 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.412 1.085 . . . . 0.0 111.241 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -136.04 26.71 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -105.97 -49.07 3.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.095 176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -67.37 -34.34 77.08 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.807 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 6.36 48.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.475 178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.5 65.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 111.018 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.4 19.89 7.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.065 0.46 . . . . 0.0 111.483 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -74.87 -41.93 58.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.535 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -71.59 -41.07 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.158 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.6 -46.58 88.41 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.91 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -74.35 -20.81 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.644 0.222 . . . . 0.0 111.278 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -67.81 -28.68 67.79 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.093 0.473 . . . . 0.0 109.841 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 18' ' ' LYS . 47.3 t -64.2 -54.07 35.73 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.543 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.736 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.03 -40.53 0.56 Allowed Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.554 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 16' ' ' VAL . 33.4 mmtp -65.32 -38.01 88.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.148 0.499 . . . . 0.0 110.663 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.52 30.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.378 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.94 -23.93 6.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.338 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.4 pp -62.8 -11.18 16.19 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.032 0.444 . . . . 0.0 110.949 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.92 -32.38 73.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.637 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -130.6 43.02 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.612 0.72 . . . . 0.0 109.66 175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.807 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 59.9 t80 -142.93 -51.01 0.36 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.274 -173.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.998 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -89.81 133.41 34.73 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.47 -8.76 15.24 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.865 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -78.78 -5.37 53.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.14 0.495 . . . . 0.0 110.596 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -98.99 34.67 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.097 0.475 . . . . 0.0 110.815 -173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -72.95 -34.04 66.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.038 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -63.26 -48.51 77.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 110.512 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 9.6 mmmm -84.97 23.1 1.26 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.405 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.76 -58.84 1.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.419 . . . . 0.0 110.315 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -51.7 11.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.85 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -63.11 -32.3 73.65 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.36 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.48 -27.3 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 111.408 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.95 -46.46 22.78 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.708 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 7.67 4.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.346 . . . . 0.0 111.742 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -60.09 -29.02 68.3 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.376 177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 18' ' ' LYS . 44.9 t -68.26 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.438 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.37 -9.2 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.311 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.618 ' H ' HG12 ' A' ' 16' ' ' VAL . 14.1 mptt 62.32 22.07 12.95 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 110.725 -177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.27 -27.15 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.253 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.51 -38.62 17.05 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 110.459 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 3.5 pp -61.04 -21.03 63.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.196 -177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -23.97 67.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.749 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -135.43 45.73 2.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.661 0.743 . . . . 0.0 109.454 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.844 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 44.7 t80 -140.77 -36.14 0.47 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.921 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.65 179.301 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.53 ' HB3' ' CD2' ' A' ' 5' ' ' PHE . 26.6 m-90 -87.77 62.88 7.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.215 0.531 . . . . 0.0 111.253 -177.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.63 2.43 87.34 Favored Glycine 0 CA--C 1.511 -0.158 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.229 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 8' ' ' LYS . 48.6 m -75.38 -12.62 60.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.121 0.486 . . . . 0.0 110.343 175.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 90.1 m-85 -88.31 66.12 8.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 0.0 110.092 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -89.09 2.85 53.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.463 0.649 . . . . 0.0 109.415 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? 62.65 57.63 1.76 Allowed 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.403 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -61.02 -74.8 0.07 Allowed 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.943 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.02 -35.87 76.0 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.94 89.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.717 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -78.96 -28.74 43.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.739 0.304 . . . . 0.0 110.433 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' LYS . 26.3 t -78.4 1.05 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 121.892 0.853 . . . . 0.0 109.481 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.93 -8.41 34.77 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.278 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.34 -8.54 18.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 122.23 0.212 . . . . 0.0 111.255 173.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -53.98 -28.98 41.0 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.1 t -60.06 -72.17 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.328 177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.71 2.68 1.87 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.212 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.788 ' H ' HG12 ' A' ' 16' ' ' VAL . 27.2 mmmt 59.81 72.44 0.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.04 0.536 . . . . 0.0 111.061 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.6 2.14 1.19 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.943 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.21 20.98 10.09 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.595 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 4.2 pp -64.62 -14.5 58.26 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.546 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -28.82 69.84 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.197 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -132.02 40.98 3.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.355 0.598 . . . . 0.0 110.287 175.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.664 ' HB3' ' HA ' ' A' ' 21' ' ' LEU . 19.6 t80 -145.13 -70.97 0.27 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.557 -175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.04 179.495 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.938 0 CA-C-O 120.379 -0.123 . . . . 0.0 113.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 -128.19 147.43 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.237 0.519 . . . . 0.0 110.319 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.01 -16.08 62.09 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.958 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -72.36 -9.8 58.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.493 0.663 . . . . 0.0 109.465 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 8' ' ' LYS . 77.2 m-85 -100.11 80.1 2.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -58.42 -40.78 83.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.201 -170.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -88.44 -15.58 35.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.126 0.488 . . . . 0.0 110.727 -177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.625 ' HB2' ' HB3' ' A' ' 5' ' ' PHE . 12.0 mmmm -101.05 0.46 38.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.908 0.385 . . . . 0.0 110.896 -176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -69.8 -47.28 63.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.106 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.83 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.529 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -77.81 -19.75 54.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.699 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 9' ' ' ALA . 5.2 p -70.79 -21.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.738 0.78 . . . . 0.0 109.175 175.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.39 -4.3 56.33 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 114.794 -1.094 . . . . 0.0 113.08 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.0 -18.88 64.74 Favored 'General case' 0 C--O 1.23 0.053 0 CA-C-N 117.206 0.503 . . . . 0.0 110.467 176.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.507 ' HB3' HD11 ' A' ' 25' ' ' LEU . 20.3 m170 -56.01 -37.54 69.29 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.762 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 18' ' ' LYS . 40.4 t -57.07 -66.0 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.184 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.53 10.89 1.58 Allowed Glycine 0 CA--C 1.524 0.64 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.273 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.777 ' H ' HG12 ' A' ' 16' ' ' VAL . 44.3 mmtm 66.14 90.04 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.224 0.61 . . . . 0.0 110.272 -178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 65.56 11.95 7.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.812 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.38 -24.96 20.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.181 0.515 . . . . 0.0 109.695 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 2.7 pt? -66.96 -13.82 62.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.731 173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -84.95 -8.7 58.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.861 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -94.99 -76.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.569 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' HD1' ' HG ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -85.68 -3.06 58.78 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.32 178.626 . . . . . . . . 1 1 . 1 stop_ save_